SCHEMBL17487722

SCHEMBL17487722

Clc1ccc(Oc2ccc(CNc3nc4ccc(NCCc5ccccn5)cc4[nH]3)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 2/20 0.45
PDE10A Q9Y233 1/20 0.42
CYP3A4 P08684 1/20 0.40
SCN9A Q15858 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
HIF1A Q16665 1/20 0.39
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
TYMS P04818 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL17488014 0.86 POLB (0.50) RAB9ASMN1; SMN2TP53CYP3A4LMNA
SCHEMBL18965768 0.82 CYP3A4 (0.52) RAB9ASMN1; SMN2CYP3A4SCN9ANPC1
SCHEMBL17488229 0.80 KDR (0.42) RAB9ASMN1; SMN2TP53CYP3A4CYP1A2
SCHEMBL17488151 0.79 RAB9A (0.42) RAB9ASMN1; SMN2TP53PDE10ACYP3A4
SCHEMBL17487452 0.79 RAB9A (0.47) RAB9ASMN1; SMN2TP53CYP3A4NPC1
SCHEMBL17487718 0.78 RAB9A (0.43) RAB9ASMN1; SMN2TP53CYP3A4LMNA
SCHEMBL17488105 0.78 RAB9A (0.41) RAB9ASMN1; SMN2TP53PDE10ACYP3A4
SCHEMBL17488332 0.77 KDR (0.40) RAB9ASMN1; SMN2TP53PDE10ACYP3A4
SCHEMBL17487960 0.77 RAB9A (0.44) RAB9ASMN1; SMN2TP53PDE10ANPC1
SCHEMBL17487497 0.77 RAB9A (0.49) RAB9ASMN1; SMN2TP53PDE10ANPC1

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
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO disclosed