SCHEMBL17488138

SCHEMBL17488138

Clc1ccc(OCc2ccc(CNc3nc4ccc(NC5COC5)cc4[nH]3)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
HIF1A Q16665 1/20 0.37
RIPK1 Q13546 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TYMS P04818 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
DGAT1 O75907 1/20 0.34
KCNH2 Q12809 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
GAA P10253 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 0.91 RAB9A (0.41) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488011 0.90 RIPK1 (0.37) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488237 0.86 RAB9A (0.40) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488013 0.85 RAB9A (0.39) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488102 0.85 RAB9A (0.36) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488308 0.85 GRM4 (0.40) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487676 0.84 CYP3A4 (0.36) RAB9ASMN1; SMN2TP53LMNAMEN1
SCHEMBL17487996 0.84 RAB9A (0.45) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488096 0.83 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488158 0.82 RIPK1 (0.35) RAB9ASMN1; SMN2TP53RIPK1CYP1A2

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