SCHEMBL5164145

SCHEMBL5164145

S=C=Nc1ccccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 3/20 0.48
CYP3A4 P08684 2/20 0.48
ABCB11 O95342 1/20 0.48
NR3C1 P04150 1/20 0.48
CYP1A2 P05177 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ALOX15 P16050 1/20 0.48
ADRA2C P18825 1/20 0.48
MAOA P21397 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2B P41595 1/20 0.48
CCR2 P41597 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MIF P14174 2/20 0.48
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11996517 0.92 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDCYP3A4ABCB11
Diphenylacetylene SCHEMBL27976246 0.91 APP (0.43) ALDH1A1HSD17B10HPGDCYP3A4ABCB11
SCHEMBL4466979 0.86 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDCYP3A4ABCB11
SCHEMBL9311479 0.84 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDCYP3A4ABCB11
SCHEMBL332485 0.84 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDCYP3A4ABCB11
SCHEMBL11996504 0.84 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDCYP3A4ABCB11
SCHEMBL9312382 0.81 ABL1 (0.51) ALDH1A1HSD17B10HPGDCYP3A4ABCB11
SCHEMBL31222208 0.80 CYP2A6 (0.45) ALDH1A1HSD17B10HPGDCYP3A4ABCB11
SCHEMBL9311077 0.80 HPGD (0.43) ALDH1A1HSD17B10HPGDCYP3A4ABCB11
SCHEMBL3896322 0.79 MIF (0.50) ALDH1A1HSD17B10HPGDCYP3A4ABCB11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118873488-A Coacervate and method for the production and use thereof 海诺生物科技有限公司 2024-11-01 CN claimed
CN-115448861-A Ethyl naphthalene series liquid crystal monomer compound, and preparation method and application thereof 中节能万润股份有限公司 2022-12-09 CN claimed
CN-106479516-A A kind of low-voltage liquid-crystal composition and low-voltage polymer dispersion liquid crystal material 中节能万润股份有限公司 2017-03-08 CN claimed
US-20050194569-A1 Compound based on liquid crystals for making optoelectronic components and corresponding manufacturing process OPTOGONE (FR) 2005-09-08 US claimed
CN-118873488-A Coacervate and method for the production and use thereof 海诺生物科技有限公司 2024-11-01 CN disclosed
CN-115895677-B High-birefringence liquid crystal material with wide nematic phase temperature and preparation method and application thereof 中国科学院长春光学精密机械与物理研究所 2024-05-17 CN disclosed
CN-117567254-A Indane ring biphenyl liquid crystal compound and preparation method and application thereof 武汉轻工大学 2024-02-20 CN disclosed
CN-117510298-A Indane ring biphenyl liquid crystal composition and application thereof 武汉轻工大学 2024-02-06 CN disclosed
CN-115322352-B Preparation and application of liquid crystal polymer based on 6-hydroxy-2-naphthoic acid derivative 浙江羲和新材料科技有限公司 2023-08-25 CN disclosed
CN-115895677-A Wide-nematic-phase-temperature high-birefringence liquid crystal material and preparation method and application thereof 中国科学院长春光学精密机械与物理研究所 2023-04-04 CN disclosed
CN-115448861-B Ethyl naphthalene series liquid crystal monomer compound, and preparation method and application thereof 中节能万润股份有限公司 2023-01-24 CN disclosed
CN-115448861-A Ethyl naphthalene series liquid crystal monomer compound, and preparation method and application thereof 中节能万润股份有限公司 2022-12-09 CN disclosed
WO-1996029075-A1 5-SUBSTITUTED-3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)- AND 3-(PIPERIDIN-4-YL)-1H-INDOLES: NEW 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1996-09-26 WO disclosed
EP-0733628-A1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1h-indoles: new 5-ht1f agonists ELI LILLY AND COMPANY (US) 1996-09-25 EP disclosed
EP-0536151-B1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM BOOTS CO PLC (GB) 1994-09-14 EP disclosed
US-5302720-A Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents THE BOOTS COMPANY (GB) 1994-04-12 US disclosed
EP-0551518-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-07-21 EP disclosed
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed
WO-1992000273-A1 ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM THE BOOTS COMPANY PLC (GB) 1992-01-09 WO disclosed
US-4067896-A ANTIMICROBIAL, HERBICIDES, FUNGICIDES, INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1978-01-10 US disclosed