SCHEMBL7045648

SCHEMBL7045648

COc1ccccc1NC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1.O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1)Nc1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MET P08581 1/20 0.36
CDK9 P50750 1/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 3/20 0.35
CD38 P28907 1/20 0.35
KDR P35968 2/20 0.35
TEK Q02763 2/20 0.35
PDGFRA P16234 1/20 0.35
PDE4D Q08499 1/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL5042862 0.89 CD38 (0.44) MEN1KMT2ANPC1RAB9AMET
SCHEMBL5042842 0.88 MAPT (0.42) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7176912 0.87 MAPT (0.39) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL5036681 0.87 NPC1 (0.49) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL5042858 0.87 NPC1 (0.50) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7048978 0.85 ACR (0.41) MEN1KMT2ANPC1RAB9AMET
SCHEMBL7049236 0.84 MMP1 (0.38) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL7044404 0.84 ROCK2 (0.37) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7044049 0.83 KDR (0.41) MEN1KMT2ANPC1RAB9AMET
SCHEMBL5040906 0.81 NPC1 (0.46) NPC1RAB9AMAPTCD38HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432417-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2004-06-30 EP disclosed
WO-2003028721-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA S.A. (FR) 2003-04-10 WO disclosed