SCHEMBL1986995

SCHEMBL1986995

CCc1c(OC(=O)O)nn(-c2ccc(Cl)cc2)c1-c1cc(Br)cs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MAPT P10636 3/20 0.35
APP P05067 1/20 0.35
CASP1 P29466 1/20 0.35
PPARA Q07869 2/20 0.34
TP53 P04637 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
SMPD1 P17405 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 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
SCHEMBL1984227 0.92 KMT2A (0.36) KMT2ALMNAMEN1ALDH1A1POLB
SCHEMBL1989244 0.90 KMT2A (0.37) KMT2ALMNAMEN1ALDH1A1POLB
SCHEMBL1983924 0.89 MAPT (0.36) LMNAALDH1A1MAPTAPPTP53
SCHEMBL1984640 0.87 CNR1 (0.46) LMNACNR1CNR2KCNH2
SCHEMBL1983442 0.86 MAPT (0.37) KMT2ALMNAMEN1POLBMAPT
SCHEMBL1988695 0.84 CNR1 (0.45) KMT2ALMNAMEN1ALDH1A1POLB
SCHEMBL1986994 0.84 CYP1A2 (0.42) KMT2ALMNAMEN1ALDH1A1POLB
SCHEMBL1984671 0.84 RXRA (0.39) LMNAALDH1A1MAPTAPPTP53
SCHEMBL1987824 0.83 KMT2A (0.40) KMT2ALMNAMEN1ALDH1A1POLB
SCHEMBL1983550 0.82 CNR1 (0.43) KMT2ALMNAMEN1ALDH1A1MAPT

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