SCHEMBL17488113

SCHEMBL17488113

Nc1ccc2nc(NCc3ccc(Oc4ccc(Cl)cc4)nc3)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
APP P05067 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
SNCA P37840 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MCL1 Q07820 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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 0.94 RAB9A (0.47) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488015 0.92 RAB9A (0.42) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487684 0.88 RAB9A (0.53) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487957 0.86 CYP3A4 (0.41) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488276 0.86 RAB9A (0.47) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488110 0.86 RAB9A (0.47) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488134 0.86 RAB9A (0.47) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488152 0.84 RAB9A (0.39) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488101 0.83 RAB9A (0.40) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488141 0.83 RAB9A (0.43) RAB9ASMN1; SMN2TP53GRIN1GRIN2B

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