SCHEMBL21377249

SCHEMBL21377249

Clc1c2ccccc2c(-c2cccc3c2sc2ccccc23)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
PARP14 Q460N5 1/20 0.46
GPR3 P46089 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.40
PRKDC P78527 7/20 0.38
MCL1 Q07820 1/20 0.38
PIK3CD O00329 2/20 0.36
PIK3CB P42338 2/20 0.36
BRD4 O60885 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
KCNH2 Q12809 1/20 0.36
BRDT Q58F21 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9890847 0.91 ALOX5 (0.56) ALOX5PARP14GPR3PRKDCPIK3CD
SCHEMBL21450764 0.89 ALOX5 (0.54) ALOX5PARP14GPR3PRKDCPIK3CD
SCHEMBL23427866 0.84 ALOX5 (0.50) ALOX5PARP14GPR3PRKDCPIK3CD
SCHEMBL17539967 0.84 PARP14 (0.50) ALOX5PARP14GPR3PRKDCPIK3CD
SCHEMBL21450758 0.84 ALOX5 (0.58) ALOX5PARP14GPR3PRKDCPIK3CD
SCHEMBL124825 0.83 ALOX5 (0.49) ALOX5PARP14GPR3PRKDCPIK3CD
SCHEMBL126450 0.83 ALOX5 (0.53) ALOX5PARP14GPR3PRKDCPIK3CD
SCHEMBL20334568 0.83 ALOX5 (0.56) ALOX5PARP14GPR3PRKDCPIK3CD
SCHEMBL21450771 0.83 ALOX5 (0.56) ALOX5PARP14GPR3PRKDCPIK3CD
SCHEMBL30002880 0.83 ALOX5 (0.49) ALOX5PARP14GPR3PRKDCPIK3CD

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-2019177393-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2019-09-19 WO disclosed