SCHEMBL1719353

SCHEMBL1719353

O=C(c1nn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc2c1Cl)N1CCOCC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.82
ALDH1A1 P00352 7/20 0.79
GAA P10253 3/20 0.79
CASP1 P29466 1/20 0.79
CASP7 P55210 1/20 0.79
HPGD P15428 7/20 0.68
MAPK1 P28482 3/20 0.63
KDM4E B2RXH2 5/20 0.58
HSD17B10 Q99714 3/20 0.58
TSHR P16473 2/20 0.55
RAB9A P51151 2/20 0.55
TP53 P04637 1/20 0.55
HTT P42858 1/20 0.53
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PTGES O14684 1/20 0.51
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL1719375 0.92 USP2 (0.85) USP2ALDH1A1GAACASP1CASP7
SCHEMBL4200866 0.91 USP2 (0.68) USP2ALDH1A1GAACASP1CASP7
SCHEMBL4212659 0.91 USP2 (0.82) USP2ALDH1A1GAACASP1CASP7
SCHEMBL4197430 0.90 USP2 (1.00) USP2ALDH1A1GAACASP1CASP7
SCHEMBL4210838 0.90 HPGD (0.70) USP2ALDH1A1GAACASP1CASP7
SCHEMBL4213964 0.90 USP2 (0.67) USP2ALDH1A1GAACASP1CASP7
SCHEMBL4203832 0.90 USP2 (0.67) USP2ALDH1A1GAACASP1CASP7
SCHEMBL1724194 0.89 ALDH1A1 (0.65) USP2ALDH1A1GAACASP1CASP7
SCHEMBL1718872 0.84 USP2 (0.67) USP2ALDH1A1GAACASP1CASP7
SCHEMBL1718625 0.83 USP2 (0.66) USP2ALDH1A1GAACASP1CASP7

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-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP disclosed