SCHEMBL17488043

SCHEMBL17488043

FC(F)(F)Oc1cnc(Oc2ccc(CNc3nc4ccc(NC5COC5)cc4[nH]3)cc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
ROCK2 O75116 1/20 0.36
PDE10A Q9Y233 1/20 0.36
RUNX1 Q01196 3/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
HIF1A Q16665 1/20 0.35
ERBB2 P04626 1/20 0.34
CDK1 P06493 1/20 0.34
LCK P06239 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CBFB Q13951 1/20 0.34
MCHR1 Q99705 1/20 0.34
TEK Q02763 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
CCNT1 O60563 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
SCHEMBL17488108 0.92 RAB9A (0.43) RAB9ASMN1; SMN2TP53ROCK2LMNA
SCHEMBL17488236 0.90 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488096 0.88 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487492 0.87 CSNK1A1 (0.41) RAB9ASMN1; SMN2TP53ROCK2PDE10A
SCHEMBL17487488 0.85 RAB9A (0.41) RAB9ASMN1; SMN2TP53PDE10ALMNA
SCHEMBL17487495 0.84 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488124 0.83 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488103 0.83 SCN9A (0.47) RAB9ASMN1; SMN2TP53MCHR1TEK
SCHEMBL17487481 0.83 RAB9A (0.39) RAB9ASMN1; SMN2TP53ROCK2LMNA
SCHEMBL17488159 0.82 RAB9A (0.41) RAB9ASMN1; SMN2TP53PDE10ALMNA

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