SCHEMBL6804463

SCHEMBL6804463

COc1ccc(-n2ncc(-c3nc4cccc(C(N)=O)c4[nH]3)c2C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
PARP1 P09874 7/20 0.40
PLA2G2A P14555 1/20 0.40
ALOX15 P16050 1/20 0.40
PTGS2 P35354 1/20 0.40
HIF1A Q16665 1/20 0.39
MAPK14 Q16539 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 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
SCHEMBL6804455 0.85 PARP1 (0.59) PARP1PLA2G2AALOX15PTGS2CHEK2
SCHEMBL6802788 0.80 PARP1 (0.41) FLT3PARP1
SCHEMBL6807422 0.78 MALT1 (0.39) FLT3PARP1ALDH1A1
SCHEMBL6807476 0.77 GRM2 (0.44) FLT3PARP1PTGS2MAPK14NPC1
SCHEMBL6587344 0.77 PARP1 (0.43) FLT3MAPKAPK2PARP1PLA2G2AALOX15
SCHEMBL6810590 0.76 GRM2 (0.54) PARP1PTGS2NPC1RAB9AMAPT
SCHEMBL6806912 0.75 GRM2 (0.44) PARP1PTGS2MEN1KMT2ANPC1
SCHEMBL6804968 0.73 PARP1 (0.49) PARP1PLA2G2AALOX15PTGS2NPC1
SCHEMBL28451458 0.71 STK33 (0.49) FLT3MEN1KMT2ANPC1RAB9A
SCHEMBL8648025 0.70 PARP1 (0.67) PARP1L3MBTL1CHEK2

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
US-6696437-B1 Heterocyclically substituted benzimidazoles, the production and application thereof ABBOTT GMBH & CO. KG (DE) 2004-02-24 US disclosed