SCHEMBL1718403

SCHEMBL1718403

CC(C)(C)NC(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
KDM4E B2RXH2 11/20 0.59
ALDH1A1 P00352 11/20 0.59
LMNA P02545 3/20 0.59
MAPT P10636 5/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ESR1 P03372 1/20 0.53
POLB P06746 1/20 0.53
BLM P54132 1/20 0.53
HPGD P15428 6/20 0.52
GAA P10253 4/20 0.52
GLA P06280 2/20 0.52
HTT P42858 2/20 0.51
APOBEC3A P31941 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CASP1 P29466 1/20 0.47
CASP7 P55210 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
SCHEMBL1718568 0.86 KDM4E (0.65) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1717796 0.86 KMT2A (0.62) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1718393 0.85 KMT2A (0.67) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1719508 0.85 KMT2A (0.62) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1719180 0.85 KMT2A (0.62) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1719056 0.84 KMT2A (0.61) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1718528 0.84 KMT2A (0.63) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1718815 0.84 KMT2A (0.60) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1718382 0.84 KDM4E (0.59) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1718535 0.84 KMT2A (0.58) KMT2AMEN1KDM4EALDH1A1LMNA

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