SCHEMBL17488013

SCHEMBL17488013

Clc1ccc(Oc2ccc(CNc3nc4ccc(NC5COC5)cc4[nH]3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
P2RX3 P56373 6/20 0.37
RIPK1 Q13546 1/20 0.36
IL6 P05231 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDR P35968 2/20 0.35
RAF1 P04049 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
HIF1A Q16665 1/20 0.34

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 0.95 RAB9A (0.41) RAB9ASMN1; SMN2TP53P2RX3RIPK1
SCHEMBL17488011 0.93 RIPK1 (0.37) RAB9ASMN1; SMN2TP53RIPK1DGAT1
SCHEMBL17487996 0.90 RAB9A (0.45) RAB9ASMN1; SMN2TP53RIPK1CYP1A2
SCHEMBL17487676 0.88 CYP3A4 (0.36) RAB9ASMN1; SMN2TP53P2RX3IL6
SCHEMBL17488240 0.88 RAB9A (0.41) RAB9ASMN1; SMN2TP53IL6TLR7
SCHEMBL17488159 0.88 RAB9A (0.41) RAB9ASMN1; SMN2TP53P2RX3IL6
SCHEMBL17487820 0.88 RAB9A (0.39) RAB9ASMN1; SMN2TP53RIPK1CYP1A2
SCHEMBL17488158 0.87 RIPK1 (0.35) RAB9ASMN1; SMN2TP53RIPK1IL6
SCHEMBL17488096 0.86 RAB9A (0.42) RAB9ASMN1; SMN2TP53RIPK1CYP1A2
SCHEMBL17488103 0.86 SCN9A (0.47) RAB9ASMN1; SMN2TP53KCNH2KDR

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