SCHEMBL23328907

SCHEMBL23328907

c1ccc2c(c1)sc1ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4sc5ccccc5c4c3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
PARP14 Q460N5 1/20 0.39
GPR3 P46089 1/20 0.39
PRKDC P78527 4/20 0.39
PTGIR P43119 1/20 0.35
PIK3CD O00329 1/20 0.34
BRD4 O60885 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
KCNH2 Q12809 1/20 0.34
BRDT Q58F21 1/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
TNKS O95271 1/20 0.33

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
SCHEMBL15964385 0.97 ALOX5 (0.52) ALOX5PARP14GPR3PRKDCPTGIR
SCHEMBL12283343 0.96 ALOX5 (0.51) ALOX5PARP14GPR3PRKDCPTGIR
SCHEMBL15964380 0.96 ALOX5 (0.51) ALOX5PARP14GPR3PRKDCPTGIR
SCHEMBL12283342 0.96 ALOX5 (0.51) ALOX5PARP14GPR3PRKDCPTGIR
SCHEMBL15964384 0.96 ALOX5 (0.51) ALOX5PARP14GPR3PRKDCPTGIR
SCHEMBL17369988 0.95 ALOX5 (0.50) ALOX5PARP14GPR3PRKDCPTGIR
SCHEMBL12960052 0.94 ALOX5 (0.49) ALOX5PARP14GPR3PRKDCPTGIR
SCHEMBL21281916 0.94 ALOX5 (0.49) ALOX5PARP14GPR3PRKDCPTGIR
SCHEMBL17126818 0.93 ALOX5 (0.53) ALOX5PARP14GPR3PRKDCPTGIR
SCHEMBL17126814 0.93 ALOX5 (0.53) ALOX5PARP14GPR3PRKDCPTGIR

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-2021085817-A2 TERTIARY AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 랩토 2021-05-06 WO disclosed