SCHEMBL17488108

SCHEMBL17488108

FC(F)(F)Oc1ccc(Oc2ccc(CNc3nc4ccc(NC5COC5)cc4[nH]3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
ROCK2 O75116 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
HIF1A Q16665 1/20 0.39
GRIN1 Q05586 4/20 0.38
GRIN2B Q13224 4/20 0.38
KDR P35968 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
KCNN3 Q9UGI6 1/20 0.36
TEK Q02763 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
USP30 Q70CQ3 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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 0.92 RAB9A (0.39) RAB9ASMN1; SMN2TP53ROCK2LMNA
SCHEMBL17487996 0.88 RAB9A (0.45) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487495 0.85 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488236 0.84 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488124 0.84 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488103 0.84 SCN9A (0.47) RAB9ASMN1; SMN2TP53KDRTEK
SCHEMBL17487488 0.84 RAB9A (0.41) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487326 0.83 RAB9A (0.46) RAB9ASMN1; SMN2TP53ROCK2LMNA
SCHEMBL17488033 0.83 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488041 0.83 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT

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