SCHEMBL17345751

SCHEMBL17345751

c1ccc(-c2cc(-c3cccc4c3sc3ccccc34)ncn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
LIMK1 P53667 5/20 0.44
MIF P14174 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
PARP14 Q460N5 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
KMO O15229 1/20 0.39
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38
F9 P00740 1/20 0.37
EGFR P00533 2/20 0.36

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
SCHEMBL22377060 0.97 ALOX5 (0.50) ALOX5LIMK1MIFASIC3PARP14
SCHEMBL22376167 0.93 ALOX5 (0.46) ALOX5LIMK1MIFASIC3PARP14
SCHEMBL15455771 0.91 ALOX5 (0.52) ALOX5LIMK1MIFASIC3PARP14
SCHEMBL29362957 0.89 ALOX5 (0.56) ALOX5LIMK1PARP14CDK5CDK5R1
SCHEMBL14718150 0.89 ALOX5 (0.56) ALOX5LIMK1PARP14CDK5CDK5R1
SCHEMBL14725290 0.88 ALOX5 (0.49) ALOX5LIMK1MIFASIC3PARP14
SCHEMBL14725283 0.87 ALOX5 (0.55) ALOX5LIMK1PARP14CDK5CDK5R1
SCHEMBL14725296 0.87 ALOX5 (0.54) ALOX5LIMK1PARP14CDK5CDK5R1
SCHEMBL22376182 0.87 LIMK1 (0.45) ALOX5LIMK1KMONPC1CYP1A2
SCHEMBL14725287 0.86 ALOX5 (0.50) ALOX5LIMK1PARP14CDK5CDK5R1

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-2015190789-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-12-17 WO disclosed