SCHEMBL16250096

SCHEMBL16250096

CNc1cc(Cl)ccc1-c1cccc2c1sc1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.53
ALOX5 P09917 1/20 0.47
KDM4E B2RXH2 2/20 0.39
PRKDC P78527 4/20 0.38
MAPT P10636 4/20 0.37
RXFP1 Q9HBX9 1/20 0.37
F10 P00742 3/20 0.36
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
MAOB P27338 1/20 0.36
TP53 P04637 1/20 0.35
HTT P42858 2/20 0.34
PAX8 Q06710 1/20 0.34
GPR3 P46089 1/20 0.34

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
SCHEMBL20352730 0.84 PARP14 (0.67) PARP14ALOX5KDM4EPRKDCMAPT
SCHEMBL16745225 0.82 PARP14 (0.47) PARP14ALOX5KDM4EPRKDCMAPT
SCHEMBL17307492 0.79 PARP14 (0.47) PARP14ALOX5KDM4EPRKDCMAPT
SCHEMBL18731804 0.79 ALOX5 (0.47) PARP14ALOX5KDM4EPRKDCMAPT
SCHEMBL23313530 0.78 ALOX5 (0.49) PARP14ALOX5KDM4EPRKDCMAPT
SCHEMBL21186940 0.78 ALOX5 (0.49) PARP14ALOX5KDM4EPRKDCMAPT
SCHEMBL4554303 0.77 PARP14 (0.52) PARP14ALOX5KDM4EMAPTF10
SCHEMBL10108816 0.76 PARP14 (0.45) PARP14ALOX5KDM4EPRKDCMAPT
SCHEMBL18731805 0.76 ALOX5 (0.47) PARP14ALOX5KDM4EPRKDCMAPT
SCHEMBL21186938 0.76 ALOX5 (0.44) PARP14ALOX5KDM4EPRKDCMAPT

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-2014185751-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-11-20 WO disclosed