SCHEMBL31499474

SCHEMBL31499474

Nc1c(Cl)ccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.60
CYP1A2 P05177 2/20 0.52
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 5/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
HPGD P15428 3/20 0.46
CYP3A4 P08684 2/20 0.46
KEAP1 Q14145 1/20 0.46
HPRT1 P00492 2/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
ITGB2 P05107 1/20 0.43
ICAM1 P05362 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
SCHEMBL4078235 1.00 CYP2A6 (0.60) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL29112674 0.79 ALDH1A1 (0.48) CYP2A6CYP1A2ALDH1A1HSD17B10TDP1
SCHEMBL18871185 0.76 CYP2A6 (0.44) CYP2A6CYP1A2ALDH1A1HSD17B10MAPT
SCHEMBL6062322 0.75 ALDH1A1 (0.55) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL64806 0.75 ALDH1A1 (0.56) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL5673224 0.75 CYP2A6 (0.65) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL31390038 0.75 ALDH1A1 (0.56) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL449348 0.75 CYP2A6 (1.00) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL29705759 0.75 ALDH1A1 (0.55) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL3668933 0.74 CYP2A6 (0.44) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271439-B Anti-CD 79b antibodies and uses thereof 深圳泽安生物医药有限公司 2025-06-13 CN disclosed
CN-119510639-A Method for detecting 2 chloronaphthylamines in drinking water by gas chromatography-mass spectrometry 苏州见远检测技术有限公司 2025-02-25 CN disclosed