SCHEMBL1983442

SCHEMBL1983442

Cc1c(OC(=O)O)nn(-c2ccc(Cl)cc2)c1-c1cc(Br)cs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
TP53 P04637 3/20 0.37
GAA P10253 3/20 0.37
VDR P11473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PPP1CA P62136 1/20 0.36
KMT2A Q03164 3/20 0.35
MALT1 Q9UDY8 3/20 0.35
MEN1 O00255 2/20 0.35
SMPD1 P17405 1/20 0.35
LMNA P02545 2/20 0.35
RPA1 P27694 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CNR1 P21554 1/20 0.34
APP P05067 1/20 0.34
CASP1 P29466 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL1985554 0.91 MAPT (0.39) MAPTTP53GAAVDRSMN1; SMN2
SCHEMBL1986572 0.90 SMN1; SMN2 (0.39) MAPTTP53GAAVDRSMN1; SMN2
SCHEMBL1985610 0.88 MAPT (0.39) MAPTTP53SMN1; SMN2KMT2ALMNA
SCHEMBL1986995 0.86 KMT2A (0.35) MAPTTP53GAASMN1; SMN2PPP1CA
SCHEMBL1990290 0.86 CNR2 (0.44) LMNACNR1
SCHEMBL1986352 0.83 CNR1 (0.42) MAPTTP53GAAVDRSMN1; SMN2
SCHEMBL1983441 0.83 CYP1A2 (0.45) MAPTSMN1; SMN2PPP1CALMNARPA1
SCHEMBL1985425 0.83 MALT1 (0.40) MAPTSMN1; SMN2KMT2AMALT1LMNA
SCHEMBL1983557 0.82 MAPT (0.38) MAPTTP53GAAVDRSMN1; SMN2
SCHEMBL1986855 0.81 CNR1 (0.41) MAPTTP53GAAVDRSMN1; SMN2

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