SCHEMBL16740648

SCHEMBL16740648

O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.86
MAOA P21397 5/20 0.69
MAOB P27338 5/20 0.69
MAPT P10636 5/20 0.68
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
ALDH1A1 P00352 2/20 0.66
LMNA P02545 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
HSPD1 P10809 1/20 0.63
HSPE1 P61604 1/20 0.63
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
PLK1 P53350 1/20 0.62
GAA P10253 1/20 0.62
STAT3 P40763 1/20 0.60

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
SCHEMBL16740649 1.00 PTPN1 (0.86) PTPN1MAOAMAOBMAPTNPC1
SCHEMBL31745319 0.92 PTPN1 (0.73) PTPN1MAOAMAOBMAPTNPC1
SCHEMBL7485310 0.84 PTPN1 (0.77) PTPN1MAOBMAPTNPC1RAB9A
SCHEMBL7485313 0.84 PTPN1 (0.77) PTPN1MAOBMAPTNPC1RAB9A
SCHEMBL108665 0.84 MAPT (0.79) PTPN1MAOAMAOBMAPTNPC1
SCHEMBL28553855 0.84 MAPT (0.79) PTPN1MAOAMAOBMAPTNPC1
SCHEMBL4728402 0.83 STAT3 (0.84) MAOAMAOBMAPTNPC1RAB9A
SCHEMBL4728397 0.83 STAT3 (0.84) MAOAMAOBMAPTNPC1RAB9A
SCHEMBL28549142 0.82 MAOA (0.76) MAOAMAOBMAPTNPC1RAB9A
SCHEMBL15404139 0.81 MAPT (1.00) MAOAMAOBMAPTNPC1RAB9A

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-2015075051-A1 ALLOSTERIC INHIBITORS OF ATYPICAL PROTEIN KINASES C UNIVERSITAET DES SAARLANDES (DE) 2015-05-28 WO disclosed