SCHEMBL3656502

SCHEMBL3656502

O=C(O)Nc1nc2cc(F)c(OCc3c(Cl)cccc3Cl)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
RECQL P46063 1/20 0.50
NPC1 O15118 6/20 0.46
MAPK1 P28482 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
RIPK1 Q13546 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CSNK1D P48730 4/20 0.41
ITGA4 P13612 1/20 0.41
DHODH Q02127 1/20 0.40
GHSR Q92847 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL3102087 0.89 RIPK1 (0.53) RAB9AKMT2AMEN1RECQLNPC1
SCHEMBL3655027 0.82 CSNK1D (0.57) RAB9AKMT2AMEN1NPC1MAPK1
SCHEMBL3656395 0.82 RAB9A (0.56) RAB9AKMT2AMEN1RECQLNPC1
SCHEMBL3656970 0.80 RAB9A (0.43) RAB9AKMT2AMEN1RECQLNPC1
SCHEMBL3104663 0.79 ABL1 (0.56) KMT2ALMNA
SCHEMBL3104412 0.79 CYP2D6 (0.43) RAB9AKMT2AMEN1MAPTKDM4E
SCHEMBL3648836 0.75 SMN1; SMN2 (0.54) RAB9AKMT2AMEN1NPC1MAPK1
SCHEMBL3109612 0.75 DYRK1A (0.39) RAB9AKMT2AMEN1RECQLMAPT
SCHEMBL3109618 0.75 FFAR1 (0.40) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL3657350 0.73 MET (0.42) RAB9AKMT2AMEN1NPC1

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-2205568-A1 6-ARYL/HETEROALKYLOXY BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, APPLICATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS C-MET INHIBITORS Sanofi-Aventis (FR) 2010-07-14 EP disclosed
WO-2009087305-A1 6-ARYL/HETEROALKYLOXY BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, APPLICATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS C-MET INHIBITORS SANOFI-AVENTIS (FR) 2009-07-16 WO disclosed