SCHEMBL1986352

SCHEMBL1986352

Cc1c(OC(=O)O)nn(-c2ccc(Cl)cc2)c1-c1ccc(Br)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.42
CNR2 P34972 3/20 0.42
MAPT P10636 7/20 0.36
TP53 P04637 3/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 6/20 0.35
VDR P11473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PPP1CA P62136 1/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 4/20 0.34
CYP1A2 P05177 2/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 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
SCHEMBL1983557 0.90 MAPT (0.38) CNR1MAPTTP53GAAKMT2A
SCHEMBL1986855 0.89 CNR1 (0.41) CNR1CNR2MAPTTP53GAA
SCHEMBL1985549 0.88 MAPT (0.40) MAPTTP53GAAKMT2ASMN1; SMN2
SCHEMBL1988695 0.86 CNR1 (0.45) CNR1CNR2MAPTTP53GAA
SCHEMBL1984047 0.85 CNR2 (0.59) CNR1CNR2LMNA
SCHEMBL1983442 0.83 MAPT (0.37) CNR1MAPTTP53GAAKMT2A
SCHEMBL1985398 0.83 CNR1 (0.51) CNR1CNR2MAPTGAAKMT2A
SCHEMBL1985554 0.81 MAPT (0.39) CNR1MAPTTP53GAAKMT2A
SCHEMBL1986572 0.80 SMN1; SMN2 (0.39) CNR1MAPTTP53GAAKMT2A
SCHEMBL1983811 0.79 MAPT (0.40) MAPTTP53KMT2ASMN1; SMN2ALDH1A1

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