SCHEMBL17488015

SCHEMBL17488015

Nc1ccc2nc(NCc3ccc(Oc4ccc(Cl)cn4)nc3)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
APP P05067 1/20 0.41
NFKB1 P19838 1/20 0.41
SNCA P37840 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL17488113 0.92 RAB9A (0.44) RAB9ACYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL17487452 0.92 RAB9A (0.47) RAB9ACYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL17488141 0.89 RAB9A (0.43) RAB9ACYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL17488100 0.88 RAB9A (0.41) RAB9ACYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL17488304 0.88 GRM4 (0.43) RAB9ACYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL17488152 0.84 RAB9A (0.39) RAB9ACYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL17487957 0.84 CYP3A4 (0.41) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL17488277 0.83 KDM4E (0.45) RAB9ACYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL17488101 0.83 RAB9A (0.40) RAB9ACYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL17487714 0.82 MEN1 (0.40) RAB9ACYP2C9CYP1A2CYP2D6CYP2C19

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