SCHEMBL1718007

SCHEMBL1718007

O=C(c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.74
ALDH1A1 P00352 8/20 0.59
GAA P10253 2/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
HPGD P15428 6/20 0.55
TP53 P04637 2/20 0.55
TSHR P16473 1/20 0.51
MAPT P10636 2/20 0.49
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL1718625 0.94 USP2 (0.66) USP2ALDH1A1GAACASP1CASP7
SCHEMBL1719303 0.88 ALDH1A1 (0.72) USP2ALDH1A1GAACASP1CASP7
SCHEMBL4211812 0.88 USP2 (0.83) USP2ALDH1A1GAACASP1CASP7
SCHEMBL1717674 0.87 USP2 (0.82) USP2ALDH1A1GAACASP1CASP7
SCHEMBL4210654 0.87 USP2 (0.82) USP2ALDH1A1GAACASP1CASP7
SCHEMBL4197430 0.85 USP2 (1.00) USP2ALDH1A1GAACASP1CASP7
SCHEMBL1718553 0.84 USP2 (0.75) USP2ALDH1A1GAACASP1CASP7
SCHEMBL4204471 0.83 USP2 (0.73) USP2ALDH1A1GAACASP1CASP7
SCHEMBL1718008 0.81 USP2 (0.72) USP2ALDH1A1GAACASP1CASP7
SCHEMBL4212500 0.80 USP2 (0.71) 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 2 patents. 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 claimed
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP disclosed