SCHEMBL1719136

SCHEMBL1719136

COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4cccs4)c(Cl)c3n2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
ALDH1A1 P00352 5/20 0.61
HPGD P15428 4/20 0.61
NPSR1 Q6W5P4 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
KDM4E B2RXH2 5/20 0.54
LMNA P02545 2/20 0.54
HSD17B10 Q99714 1/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
POLB P06746 3/20 0.52
THRB P10828 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
FUBP1 Q96AE4 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.48
CASP1 P29466 1/20 0.48

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
SCHEMBL1718181 0.87 MAPT (0.73) MAPTALDH1A1HPGDNPSR1CYP1A2
SCHEMBL1718015 0.86 MAPT (0.60) MAPTALDH1A1HPGDNPSR1CYP1A2
SCHEMBL1717779 0.86 ALDH1A1 (0.83) MAPTALDH1A1HPGDNPSR1CYP1A2
SCHEMBL1719293 0.84 MAPT (0.65) MAPTALDH1A1HPGDNPSR1CYP1A2
SCHEMBL1718780 0.83 MAPT (0.74) MAPTALDH1A1HPGDNPSR1KDM4E
SCHEMBL1719287 0.82 MAPT (0.78) MAPTALDH1A1HPGDNPSR1CYP1A2
SCHEMBL12239908 0.81 KDM4E (0.67) MAPTALDH1A1HPGDNPSR1CYP1A2
SCHEMBL1717810 0.78 MAPT (0.57) MAPTALDH1A1HPGDNPSR1CYP1A2
SCHEMBL1718286 0.78 MAPT (0.69) MAPTALDH1A1HPGDNPSR1CYP1A2
SCHEMBL1717821 0.78 ALDH1A1 (0.77) MAPTALDH1A1HPGDNPSR1CYP1A2

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