SCHEMBL1939720

SCHEMBL1939720

CN(CCO)S(=O)(=O)c1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c(Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.49
TP53 P04637 4/20 0.49
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 1/20 0.46
THRB P10828 1/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
GLA P06280 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL1939103 0.93 TP53 (0.48) POLBTP53MAPTLMNATHRB
SCHEMBL1938062 0.92 THRB (0.47) POLBMAPTLMNAKMT2ATHRB
SCHEMBL1940322 0.89 MAPT (0.39) POLBTP53MAPTLMNAKMT2A
SCHEMBL1380634 0.87 TP53 (0.48) POLBTP53MAPTLMNAKMT2A
SCHEMBL1939239 0.87 TP53 (0.49) POLBTP53MAPTLMNAKMT2A
SCHEMBL1938940 0.87 TP53 (0.49) POLBTP53MAPTLMNAKMT2A
SCHEMBL1380793 0.86 TP53 (0.49) POLBTP53MAPTLMNAKMT2A
SCHEMBL1384178 0.86 TP53 (0.53) POLBTP53MAPTLMNAKMT2A
SCHEMBL1939329 0.85 TP53 (0.49) POLBTP53MAPTLMNAKMT2A
SCHEMBL1940200 0.84 THRB (0.46) POLBMAPTLMNAKMT2ATHRB

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-1851225-B1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-15 EP claimed
EP-1851225-B1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-15 EP disclosed