SCHEMBL17488141

SCHEMBL17488141

Nc1ccc2nc(NCc3ccc(COc4ccc(Cl)cn4)cc3)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 3/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
APP P05067 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL17487452 0.89 RAB9A (0.47) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488015 0.89 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488218 0.84 RAB9A (0.46) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488113 0.83 RAB9A (0.44) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488304 0.83 GRM4 (0.43) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488100 0.83 RAB9A (0.41) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487957 0.81 CYP3A4 (0.41) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488138 0.81 RAB9A (0.37) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487684 0.81 RAB9A (0.53) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487379 0.80 RAB9A (0.48) 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