SCHEMBL1718322

SCHEMBL1718322

CCc1ccc(NC(=O)c2nn3c(C(F)(F)F)cc(-c4cccs4)nc3c2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
KDM4E B2RXH2 9/20 0.54
ALDH1A1 P00352 9/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 4/20 0.51
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.51
ESR1 P03372 1/20 0.51
POLB P06746 1/20 0.51
BLM P54132 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 4/20 0.49
GAA P10253 3/20 0.49
GLA P06280 1/20 0.49
MYC P01106 1/20 0.47
MAX P61244 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TAAR1 Q96RJ0 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) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1717796 0.89 KMT2A (0.62) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1719508 0.89 KMT2A (0.62) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1719015 0.88 KMT2A (0.58) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1718815 0.87 KMT2A (0.60) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1717991 0.87 KMT2A (0.60) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1720200 0.85 KMT2A (0.58) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1718662 0.85 KMT2A (0.60) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1719621 0.85 KMT2A (0.60) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1717810 0.85 MAPT (0.57) 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