SCHEMBL507946

SCHEMBL507946

C=[C]c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALDH1A1 P00352 8/20 0.46
HSD17B10 Q99714 6/20 0.46
CYP2A6 P11509 3/20 0.46
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CHAT P28329 1/20 0.43
CYP1A2 P05177 6/20 0.42
HPGD P15428 4/20 0.42
CYP3A4 P08684 3/20 0.42
KEAP1 Q14145 1/20 0.42
HPRT1 P00492 1/20 0.42
GRM5 P41594 1/20 0.40
ALOX15 P16050 2/20 0.39
ABCB11 O95342 1/20 0.39
NR3C1 P04150 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL5081427 0.87 HPRT1 (0.58) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL8911901 0.80 CA1 (0.47) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL5865111 0.80 CA1 (0.47) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL1033618 0.79 ALDH1A1 (0.41) CA1CA2ALDH1A1HSD17B10TSHR
SCHEMBL814962 0.79 HPRT1 (0.52) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL10804459 0.79 HPRT1 (0.52) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL2776015 0.79 CHAT (0.60) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL29661843 0.79 CHAT (0.60) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL1141298 0.79 HPRT1 (0.52) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL6364668 0.77 CHAT (0.58) CA1CA2ALDH1A1HSD17B10CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116535460-A Sulfur-containing peptidomimetic compounds, and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2023-08-04 CN claimed
CN-116425937-A Resin composition and application thereof 常熟生益科技有限公司 2023-07-14 CN claimed
CN-116410135-A Naphthalene vinyl pyridine compound, photosensitive resin composition, application thereof and patterning method 常州强力先端电子材料有限公司 2023-07-11 CN claimed
EP-3255692-B1 ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2023-07-05 EP claimed
EP-3404735-B1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2023-05-10 EP claimed
CN-115745898-A Aromatic acrylamide-triazole compound, and preparation method and application thereof 许昌学院 2023-03-07 CN claimed
EP-3671885-B1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2023-03-01 EP claimed
CN-114773347-A Benzimidazole compound based on ortho-substitution and application thereof 宁波卢米蓝新材料有限公司 2022-07-22 CN claimed
CN-114736208-A Benzimidazole compound based on multi-donor substitution and application thereof 宁波卢米蓝新材料有限公司 2022-07-12 CN claimed
CN-114507219-A Organic compound based on naphthalimide and application thereof 宁波卢米蓝新材料有限公司 2022-05-17 CN claimed
WO-2001070026-A2 2-PHENYLENEDIAMINE DERIVATIVES AS HERBICIDES JOMAA PHARMAKA GMBH (DE) 2001-09-27 WO claimed
WO-2001062709-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-08-30 WO claimed
EP-1068176-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS Jomaa, Hassan (DE) 2001-01-17 EP claimed
WO-2000027803-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS JOMAA, HASSAN (DE) 2000-05-18 WO claimed
US-6017956-A AN ANTITUMOR AGENT, AN ENZYME INHIBITOR FOR INHIBITING PROTEIN-FARNESYL TRANSFERASE TO SUPPRESS FUNCTION OF ONCOGENE PROTEIN RAS BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US claimed
US-5932601-A USEFUL FOR LOWERING BLOOD SUGAR AND LIPID IN BLOOD TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-03 US claimed
EP-0463488-B1 O-Benzyl oxime ethers and fungicides containing them BASF AG (DE) 1997-12-10 EP claimed
EP-0319986-B1 Anti-plasmin depressant NIPPON SHINYAKU CO LTD (JP) 1997-03-12 EP claimed
US-5110500-A Polysiloxane scintillator composition UNIVERSITY OF FLORIDA (US) 1992-05-05 US claimed
EP-0241795-B1 BENZIMIDAZOLO-QUINAZOLINES BAYER AG (DE) 1991-09-11 EP claimed