SCHEMBL1653

SCHEMBL1653

c1ccc(C[N]Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TRPA1 O75762 2/20 0.55
HPGD P15428 2/20 0.55
CYP3A4 P08684 1/20 0.55
MIF P14174 1/20 0.55
CALM1 P0DP23 1/20 0.53
GRIN1 Q05586 3/20 0.48
GRIN2B Q13224 3/20 0.48
NOS2 P35228 1/20 0.48
TSHR P16473 3/20 0.47
LOXL2 Q9Y4K0 2/20 0.47
IDO1 P14902 1/20 0.47
TP53 P04637 1/20 0.47
MAOB P27338 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
CYP2A6 P11509 1/20 0.43

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
Hydrogen Sulfide SCHEMBL5079696 0.97 ALDH1A1 (0.52) ALDH1A1TRPA1HPGDCYP3A4MIF
SCHEMBL10325242 0.91 TRPA1 (0.48) ALDH1A1TRPA1HPGDCYP3A4MIF
SCHEMBL2145 0.86 ALDH1A1 (0.50) ALDH1A1TRPA1HPGDCYP3A4MIF
SCHEMBL2643014 0.84 MIF (0.50) ALDH1A1TRPA1HPGDCYP3A4MIF
SCHEMBL17178869 0.83 ALDH1A1 (0.52) ALDH1A1TRPA1HPGDCYP3A4MIF
SCHEMBL19611522 0.83 ALDH1A1 (0.52) ALDH1A1TRPA1HPGDCYP3A4MIF
SCHEMBL15506263 0.83 ALDH1A1 (0.52) ALDH1A1TRPA1HPGDCYP3A4MIF
SCHEMBL9120248 0.82 HTR2A (0.48) ALDH1A1TRPA1HPGDCYP3A4MIF
SCHEMBL2098956 0.82 TDP1 (0.48) ALDH1A1TRPA1HPGDCYP3A4MIF
SCHEMBL3373294 0.82 TP53 (0.46) ALDH1A1TRPA1HPGDCYP3A4MIF

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

Appears in 8926 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145585-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-04 WO claimed
CN-118027749-A Ink and label for temperature change meter 江苏熠动科技有限公司 2024-05-14 CN claimed
EP-4361141-A1 PROTEIN DEGRADATION AGENT Suzhou Kintor Pharmaceuticals, Inc. (CN) 2024-05-01 EP claimed
CN-112608253-B Organic compound, organic light-emitting element, display device, image pickup device, illumination device, and moving object 佳能株式会社 2024-04-09 CN claimed
CN-117545749-A Protein degradation agent 苏州开拓药业股份有限公司 2024-02-09 CN claimed
CN-112094218-B Synthesis method of pyrrole derivative 湖北科技学院 2024-01-26 CN claimed
US-11779912-B2 Synthesis and characterization of Ru alkylidene complexes UMICORE AG & CO. KG (DE) 2023-10-10 US claimed
CN-113563250-B Tryptamine benzoate derivative and preparation and application thereof 南华大学 2023-07-07 CN claimed
CN-114106057-B Synthesis and characterization of Ru alkylene complexes 优美科股份公司及两合公司 2023-06-23 CN claimed
CN-115838378-B Continuous flow synthesis process of pyridine boric acid compounds 研峰科技(北京)有限公司 2023-05-12 CN claimed
US-4110533-A PROCESS FOR THE MANUFACTURE OF ENOL DERIVATIVES CIBA-GEIGY CORPORATION (US) 1978-08-29 US claimed
US-4074050-A COLOR FORMER HODOGAYA CHEMICAL CO., LTD. (JA) 1978-02-14 US claimed
US-4073614-A Mixture of benzoxazines and benzodioxanes which may be used as color formers HODOGAYA CHEMICAL CO., LTD. (JA) 1978-02-14 US claimed
US-4042642-A 1,3-BIS(MORPHOLINOTHIO)-IMIDAZOLIDINONE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-08-16 US claimed
US-4033716-A Transfer printing process for hydrophilic fibrous material CIBA-GEIGY AG (CH) 1977-07-05 US claimed
US-4016263-A BACTERICIDES BOEHRINGER INGELHEIM GMBH (DT) 1977-04-05 US claimed
US-3967835-A Pressure-sensitive copying material HODOGAYA CHEMICAL CO., LTD. (JA) 1976-07-06 US claimed
US-3960857-A Urea additives for sulfur vulcanizable polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-06-01 US claimed
US-3933803-A ANTIBACTERIAL, ANTIMITOTIC, ANTIMYCOTIC INSTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1976-01-20 US claimed
US-3930672-A Pressure-sensitive copying paper containing lactone compounds derived from pyridine-carboxylic acid HODOGAYA CHEMICAL CO., LTD. (JA) 1976-01-06 US claimed