SCHEMBL15855434

SCHEMBL15855434

c1cc(-c2cccc(-c3cccc(-c4cccc5sc6ccccc6c45)c3)c2)cc(-c2cccc(-c3cccc4sc5ccccc5c34)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
ALOX5 P09917 1/20 0.44
LIMK1 P53667 1/20 0.41
F9 P00740 1/20 0.41
BRDT Q58F21 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
DUSP3 P51452 1/20 0.37
BLM P54132 1/20 0.37
PTPN5 P54829 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN11 Q06124 1/20 0.37
MCL1 Q07820 1/20 0.37
CTDSP1 Q9GZU7 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
SCHEMBL25680445 0.96 GPR3 (0.43) GPR3ALOX5LIMK1F9BRDT
SCHEMBL30189132 0.92 GPR3 (0.50) GPR3ALOX5LIMK1F9BRDT
SCHEMBL22789833 0.92 ALOX5 (0.42) GPR3ALOX5LIMK1F9BRDT
SCHEMBL17231544 0.92 ALOX5 (0.42) GPR3ALOX5LIMK1F9BRDT
SCHEMBL13129276 0.92 ALOX5 (0.42) GPR3ALOX5LIMK1F9BRDT
SCHEMBL24609477 0.91 ALOX5 (0.41) GPR3ALOX5LIMK1F9BRDT
SCHEMBL21692548 0.89 F9 (0.45) GPR3ALOX5LIMK1F9BRDT
SCHEMBL25081653 0.89 ALOX5 (0.40) GPR3ALOX5LIMK1F9BRDT
SCHEMBL25081628 0.89 ALOX5 (0.40) GPR3ALOX5LIMK1F9BRDT
SCHEMBL25082033 0.89 ALOX5 (0.40) GPR3ALOX5LIMK1F9BRDT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9537111-B2 Compound, material for organic electroluminescence device, and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2017-01-03 US disclosed
US-20140183486-A1 NOVEL COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2014-07-03 US disclosed
US-20140183486-A1 NOVEL COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2014-07-03 US disclosed