SCHEMBL17487488

SCHEMBL17487488

FC(F)(F)c1ccnc(Oc2ccc(CNc3nc4ccc(NC5COC5)cc4[nH]3)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
FABP4 P15090 3/20 0.37
PDE10A Q9Y233 2/20 0.36
KDR P35968 3/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
GSK3B P49841 1/20 0.35
CSNK1G2 P78368 1/20 0.35
MCHR1 Q99705 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
HIF1A Q16665 1/20 0.35
RAF1 P04049 2/20 0.34
BRAF P15056 2/20 0.34
TBK1 Q9UHD2 1/20 0.33
TEK Q02763 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL17488043 0.85 RAB9A (0.39) RAB9ASMN1; SMN2TP53PDE10AMCHR1
SCHEMBL17488236 0.84 RAB9A (0.42) RAB9ASMN1; SMN2TP53KDRCSNK1A1
SCHEMBL17488108 0.84 RAB9A (0.43) RAB9ASMN1; SMN2TP53KDRLMNA
SCHEMBL17488096 0.82 RAB9A (0.42) RAB9ASMN1; SMN2TP53KDRLMNA
SCHEMBL17488103 0.82 SCN9A (0.47) RAB9ASMN1; SMN2TP53KDRMCHR1
SCHEMBL18965770 0.82 NPC1 (0.38) RAB9ASMN1; SMN2TP53KDRMCHR1
SCHEMBL17487492 0.81 CSNK1A1 (0.41) RAB9ASMN1; SMN2TP53PDE10ACSNK1A1
SCHEMBL17487996 0.81 RAB9A (0.45) RAB9ASMN1; SMN2TP53FABP4KDR
SCHEMBL17487481 0.81 RAB9A (0.39) RAB9ASMN1; SMN2TP53KDRLMNA
SCHEMBL17487504 0.80 RAB9A (0.41) RAB9ASMN1; SMN2TP53PDE10AKDR

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