SCHEMBL15445145

SCHEMBL15445145

CC(=O)OCCNc1ncc(C(=O)c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.43
▸ RAB9A P51151 7/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ PRNP P04156 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39

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
SCHEMBL6200108 0.74 ALDH1A1 (0.61) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL15436050 0.73 XDH (0.45) —
SCHEMBL15436051 0.73 XDH (0.45) —
SCHEMBL16941668 0.72 XDH (0.38) NPC1RAB9ASMN1; SMN2PRNPMEN1
SCHEMBL27776363 0.71 MEN1 (0.77) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28033321 0.70 GAA (0.51) RAB9AMAPTGAAALDH1A1CCNA2
SCHEMBL15445189 0.69 NPC1 (0.37) NPC1RAB9ASMN1; SMN2PRNPMEN1
SCHEMBL20142508 0.69 NPC1 (0.44) NPC1RAB9ASMN1; SMN2PRNPMEN1
SCHEMBL10957016 0.68 NPC1 (0.51) NPC1RAB9ASMN1; SMN2PRNPMEN1
SCHEMBL13941286 0.68 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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
EP-2690105-A1 Mannose derivatives, a process for preparing the same and their uses as a drug Centre National De La Recherche Scientifique (FR) 2014-01-29 — — EP disclosed
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