SCHEMBL1986012

SCHEMBL1986012

COc1ccc(-n2nc(OC(=O)O)c(C)c2-c2ccc(C)s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CCNA1 P78396 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 1/20 0.38
PDE4D Q08499 1/20 0.38
RPA1 P27694 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL1983811 0.90 MAPT (0.40) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL1985549 0.90 MAPT (0.40) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL1986031 0.88 PDE4D (0.41) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL1983557 0.87 MAPT (0.38) MAPTNFKB1NFKB2RELASMN1; SMN2
SCHEMBL1986009 0.83 TP53 (0.51) MAPTCCNA2CDK2CCNA1L3MBTL1
SCHEMBL1984758 0.83 MAPT (0.40) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL1985610 0.82 MAPT (0.39) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL1985425 0.81 MALT1 (0.40) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL1986855 0.79 CNR1 (0.41) MAPTSMN1; SMN2TP53KMT2ALMNA
SCHEMBL1987138 0.78 TP53 (0.39) MAPTNPC1RAB9ASMN1; SMN2CCNA2

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-1602656-B1 PYRAZOLE DERIVATIVES HAVING AFFINITY FOR CB1 AND/OR CB2 RECEPTORS NEUROSCIENZE PHARMANESS S C A R L (IT) 2011-06-29 EP claimed