SCHEMBL17487996

SCHEMBL17487996

Clc1ccc(Oc2ccc(CNc3nc4ccc(NC5COC5)cc4[nH]3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
HIF1A Q16665 1/20 0.40
RIPK1 Q13546 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAF1 P04049 1/20 0.38
TYMS P04818 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
KDR P35968 3/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL17488033 0.93 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487541 0.92 RAB9A (0.39) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488105 0.90 RAB9A (0.41) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488013 0.90 RAB9A (0.39) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488124 0.90 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488096 0.90 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487716 0.89 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488147 0.88 RAF1 (0.38) RAB9ASMN1; SMN2TP53RIPK1CYP1A2
SCHEMBL17487481 0.88 RAB9A (0.39) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487820 0.88 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