SCHEMBL17488237

SCHEMBL17488237

Clc1ccc(COc2ccc(CNc3nc4ccc(NC5COC5)cc4[nH]3)cc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
HIF1A Q16665 1/20 0.36
RIPK1 Q13546 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TYMS P04818 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
KDR P35968 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
SCHEMBL17488105 0.87 RAB9A (0.41) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488138 0.86 RAB9A (0.37) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487996 0.86 RAB9A (0.45) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488096 0.85 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488158 0.84 RIPK1 (0.35) RAB9ASMN1; SMN2TP53RIPK1CYP1A2
SCHEMBL17487716 0.84 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488147 0.84 RAF1 (0.38) RAB9ASMN1; SMN2TP53RIPK1CYP1A2
SCHEMBL17488011 0.84 RIPK1 (0.37) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488033 0.83 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487717 0.83 RAB9A (0.39) 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