SCHEMBL14645853

SCHEMBL14645853

CCCCCCCCCCCCCc1c(C(=O)OCC)sc2c(Br)csc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 8/20 0.74
AKT1 P31749 1/20 0.41
IRS1 P35568 1/20 0.41
GAB1 Q13480 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLA2G4A P47712 1/20 0.39
NPSR1 Q6W5P4 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
GSK3B P49841 1/20 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
SCHEMBL14645768 1.00 GPR35 (0.74) GPR35AKT1IRS1GAB1L3MBTL1
SCHEMBL1593215 1.00 GPR35 (0.74) GPR35AKT1IRS1GAB1L3MBTL1
SCHEMBL12374321 1.00 GPR35 (0.74) GPR35AKT1IRS1GAB1L3MBTL1
SCHEMBL13961926 0.94 GPR35 (0.65) GPR35AKT1IRS1GAB1L3MBTL1
SCHEMBL18558705 0.88 GPR35 (0.58) GPR35AKT1IRS1GAB1L3MBTL1
SCHEMBL10144291 0.85 GPR35 (0.80) GPR35MAPTMEN1KMT2AKDM4E
SCHEMBL10144290 0.85 GPR35 (0.80) GPR35MAPTMEN1KMT2AKDM4E
SCHEMBL13961888 0.85 GPR35 (0.80) GPR35MAPTMEN1KMT2AKDM4E
SCHEMBL437806 0.85 GPR35 (1.00) GPR35MAPTMEN1KMT2APLA2G4A
SCHEMBL2278156 0.85 GPR35 (1.00) GPR35MAPTMEN1KMT2APLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140131628-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2014-05-15 US disclosed
US-20140131628-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2014-05-15 US disclosed
US-20140131628-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2014-05-15 US disclosed
EP-2729513-A2 CONJUGATED POLYMERS Merck Patent GmbH (DE) 2014-05-14 EP disclosed
CN-103122006-A Fused thiophenes and methods for making and using same CORNING INC 2013-05-29 CN disclosed
WO-2013007334-A2 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2013-01-17 WO disclosed
WO-2013007334-A2 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2013-01-17 WO disclosed
CN-102046636-A Fused thiophenes and methods of making and using the same CORNING INC 2011-05-04 CN disclosed