SCHEMBL1987138

SCHEMBL1987138

CCc1c(OC(=O)O)nn(-c2ccc(OC)cc2)c1-c1ccc(Br)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.39
RXFP1 Q9HBX9 2/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PDE4D Q08499 2/20 0.36
MAPT P10636 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RPA1 P27694 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL1986031 0.91 PDE4D (0.41) TP53PDE4DMAPTL3MBTL1ALDH1A1
SCHEMBL1988695 0.89 CNR1 (0.45) TP53RXFP1CNR1CNR2PDE4D
SCHEMBL1985253 0.88 CNR1 (0.38) TP53CNR1CNR2PDE4DMAPT
SCHEMBL1985549 0.86 MAPT (0.40) TP53RXFP1PDE4DMAPTL3MBTL1
SCHEMBL1987136 0.85 TP53 (0.46) TP53RXFP1CNR1CNR2PDE4D
SCHEMBL1983924 0.85 MAPT (0.36) TP53PDE4DMAPTALDH1A1HTT
SCHEMBL1983836 0.81 PDE4D (0.38) TP53PDE4DMAPTL3MBTL1ALDH1A1
SCHEMBL1984671 0.80 RXRA (0.39) TP53PDE4DMAPTALDH1A1HTT
SCHEMBL1987824 0.79 KMT2A (0.40) TP53CNR1CNR2MAPTALDH1A1
SCHEMBL1986012 0.78 MAPT (0.42) TP53PDE4DMAPTL3MBTL1ALDH1A1

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