SCHEMBL16751666

SCHEMBL16751666

c1ccc2c(c1)sc1[nH]c3ncccc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
AURKA O14965 1/20 0.45
PARP1 P09874 1/20 0.45
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CHEK1 O14757 1/20 0.41
PDK2 Q15119 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
GPR3 P46089 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TNKS O95271 1/20 0.37

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
SCHEMBL574118 0.80 GPR3 (0.52) CDK4CCND1GPR3MEN1MAPT
SCHEMBL19988629 0.80 MEN1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23327869 0.78 TNKS (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31683845 0.78 TNKS (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16751658 0.78 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15436405 0.74 MEN1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL573921 0.73 TNKS (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31606611 0.73 TNKS (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16751751 0.71 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31379851 0.70 MAPT (0.58) CDK4CCND1GPR3MEN1MAPT

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
WO-2015076600-A1 NOVEL LIGHT EMISSION COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 동진쎄미켐 2015-05-28 WO disclosed