SCHEMBL15318798

SCHEMBL15318798

c1cnc2c(c1)[nH]c1ccc3c4ccccc4sc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.48
GABRG2 P18507 3/20 0.48
GABRB3 P28472 3/20 0.48
GABRA5 P31644 3/20 0.48
GABRA3 P34903 3/20 0.48
GABRA2 P47869 3/20 0.48
PARP1 P09874 3/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
KRAS P01116 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KIF11 P52732 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
GABRP O00591 1/20 0.37
GABRD O14764 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
SCHEMBL16919355 0.83 MAPT (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15436405 0.83 MEN1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29520199 0.82 TNKS (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31684 0.82 TNKS (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29470199 0.82 TNKS (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15318823 0.81 RAB9A (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15335609 0.79 NPC1 (0.44) MEN1MAPTRAB9AKMT2AKRAS
SCHEMBL23353333 0.79 TNKS (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19988475 0.79 MEN1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15335607 0.79 TNKS (0.39) MEN1MAPTRAB9AKMT2ATNKS

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
WO-2013147427-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2013-10-03 WO disclosed
WO-2013147427-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2013-10-03 WO disclosed