SCHEMBL16751643

SCHEMBL16751643

c1ccc2c(c1)sc1[nH]c3cncnc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
GABRA1 P14867 6/20 0.38
GABRG2 P18507 6/20 0.38
GABRB3 P28472 6/20 0.38
GABRA5 P31644 6/20 0.38
GABRA3 P34903 6/20 0.38
GABRA2 P47869 6/20 0.38
GABRP O00591 3/20 0.38
GABRD O14764 3/20 0.38
GABRB1 P18505 3/20 0.38
GABRB2 P47870 3/20 0.38
GABRA4 P48169 3/20 0.38
GABRE P78334 3/20 0.38
GABRA6 Q16445 3/20 0.38
GABRG1 Q8N1C3 3/20 0.38
GABRG3 Q99928 3/20 0.38
GABRQ Q9UN88 3/20 0.38
LIMK1 P53667 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38

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
SCHEMBL16751693 0.82 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16751705 0.81 LIMK1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16751658 0.79 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16751602 0.75 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16751768 0.72 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL573921 0.72 TNKS (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31606611 0.72 TNKS (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL574118 0.71 GPR3 (0.52) TNKSTNKS2MEN1MAPTRAB9A
SCHEMBL2391060 0.71 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30320037 0.71 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3

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