SCHEMBL1719015

SCHEMBL1719015

O=C(Nc1ccc(OC(F)(F)F)cc1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 7/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 3/20 0.49
HPGD P15428 3/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ESR1 P03372 1/20 0.49
POLB P06746 1/20 0.49
BLM P54132 1/20 0.49
TP53 P04637 1/20 0.48
PTGES O14684 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL1719180 0.90 KMT2A (0.62) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1719959 0.90 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1717796 0.89 KMT2A (0.62) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1719508 0.89 KMT2A (0.62) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1718322 0.88 KMT2A (0.60) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1717991 0.87 KMT2A (0.60) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1720203 0.86 MAPT (0.60) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL1718394 0.86 KMT2A (0.56) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1720200 0.85 KMT2A (0.58) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1718662 0.85 KMT2A (0.60) 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