SCHEMBL15445189

SCHEMBL15445189

O=C(c1ccc([N+](=O)[O-])cc1)c1cnc(N[C@H](CO)OC(CO)[C@@H](O)CO)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.37
▸ RAB9A P51151 8/20 0.37
▸ SMN1; SMN2 Q16637 8/20 0.37
▸ PRNP P04156 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPT P10636 8/20 0.36
▸ MAPK13 O15264 2/20 0.35
▸ MAPK12 P53778 2/20 0.35
▸ MAPK11 Q15759 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL15445145 0.69 NPC1 (0.43) NPC1RAB9ASMN1; SMN2PRNPCYP1A2
SCHEMBL15436010 0.67 TSHR (0.44) —
SCHEMBL16946211 0.67 TSHR (0.44) —
SCHEMBL16941671 0.67 TSHR (0.44) —
SCHEMBL15436011 0.67 TSHR (0.44) —
SCHEMBL28033321 0.67 GAA (0.51) RAB9AMAPTL3MBTL1CCNA2CDK2
SCHEMBL15445143 0.66 NPC1 (0.41) NPC1RAB9ASMN1; SMN2PRNPCYP1A2
SCHEMBL20953407 0.65 LGALS3 (0.41) NPC1RAB9ASMN1; SMN2PRNPMAPT
SCHEMBL20142508 0.65 NPC1 (0.44) NPC1RAB9ASMN1; SMN2PRNPCYP1A2
SCHEMBL20953445 0.61 NPC1 (0.40) NPC1RAB9ASMN1; SMN2PRNPCYP1A2

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
Send feedback