SCHEMBL1718528

SCHEMBL1718528

O=C(Nc1ccccc1C(F)(F)F)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
ALDH1A1 P00352 10/20 0.59
KDM4E B2RXH2 10/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 6/20 0.53
POLB P06746 2/20 0.53
ESR1 P03372 1/20 0.53
BLM P54132 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HPGD P15428 6/20 0.49
TAAR1 Q96RJ0 1/20 0.49
APOBEC3A P31941 1/20 0.48
GLA P06280 2/20 0.48
CASP1 P29466 3/20 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
SCHEMBL1718815 0.90 KMT2A (0.60) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1718402 0.89 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1719056 0.89 KMT2A (0.61) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1717796 0.89 KMT2A (0.62) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1718535 0.89 KMT2A (0.58) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1719814 0.88 KMT2A (0.59) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1718674 0.88 KMT2A (0.59) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1718382 0.87 KDM4E (0.59) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1719676 0.87 RXFP1 (0.59) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1719256 0.87 KMT2A (0.58) KMT2AMEN1ALDH1A1KDM4ELMNA

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