SCHEMBL31606611

SCHEMBL31606611

c1ccc2c(c1)[nH]c1sc3ccccc3c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.59
TNKS2 Q9H2K2 1/20 0.59
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 1/20 0.52
MAP3K9 P80192 3/20 0.49
MAP3K11 Q16584 3/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
ALDH1A1 P00352 4/20 0.44
GPR3 P46089 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NTRK1 P04629 1/20 0.43
MAP3K10 Q02779 1/20 0.43
AHR P35869 1/20 0.43
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 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
SCHEMBL573921 1.00 TNKS (0.59) TNKSTNKS2MEN1KMT2AMAPT
SCHEMBL574118 0.83 GPR3 (0.52) TNKSTNKS2MEN1KMT2AMAPT
SCHEMBL16606605 0.82 TNKS (0.57) TNKSTNKS2MEN1KMT2AMAPT
SCHEMBL16276646 0.81 CDK4 (0.46) TNKSTNKS2MEN1KMT2AMAPT
SCHEMBL14732425 0.81 ACHE (0.53) TNKSTNKS2MEN1KMT2AMAPT
SCHEMBL16751658 0.78 GABRA1 (0.51) TNKSTNKS2MEN1KMT2AMAPT
SCHEMBL16751751 0.78 GABRA1 (0.55) TNKSTNKS2CDK4CCND1GABRP
SCHEMBL24431159 0.78 KIF11 (0.60) TNKSTNKS2MEN1KMT2AMAPT
SCHEMBL16867158 0.76 MEN1 (0.66) TNKSTNKS2MEN1KMT2AMAPT
SCHEMBL29343607 0.76 MEN1 (0.66) TNKSTNKS2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112707923-B Organic electroluminescent material and device 环球展览公司 2025-06-03 CN disclosed