SCHEMBL17487481

SCHEMBL17487481

Clc1ccc2nc(Oc3ccc(CNc4nc5ccc(NC6COC6)cc5[nH]4)cc3)ncc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
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
RAF1 P04049 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
HIF1A Q16665 1/20 0.35
TYMS P04818 1/20 0.35
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
KDR P35968 2/20 0.33
TEK Q02763 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 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
SCHEMBL17488096 0.91 RAB9A (0.42) RAB9ASMN1; SMN2TP53RIPK1CYP1A2
SCHEMBL17487996 0.88 RAB9A (0.45) RAB9ASMN1; SMN2TP53RIPK1CYP1A2
SCHEMBL17488033 0.87 RAB9A (0.42) RAB9ASMN1; SMN2TP53RIPK1CYP1A2
SCHEMBL17488105 0.86 RAB9A (0.41) RAB9ASMN1; SMN2TP53RIPK1CYP1A2
SCHEMBL17488236 0.86 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487820 0.85 RAB9A (0.39) RAB9ASMN1; SMN2TP53RIPK1CYP1A2
SCHEMBL17488013 0.84 RAB9A (0.39) RAB9ASMN1; SMN2TP53RIPK1CYP1A2
SCHEMBL17487716 0.84 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2TP53RIPK1CYP2C9
SCHEMBL17487492 0.84 CSNK1A1 (0.41) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488124 0.84 RAB9A (0.42) RAB9ASMN1; SMN2TP53RAF1LMNA

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