SCHEMBL1719959

SCHEMBL1719959

O=C(Nc1ccc(OC(F)(F)F)cc1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
MAPT P10636 4/20 0.61
POLB P06746 2/20 0.61
ESR1 P03372 1/20 0.61
BLM P54132 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
RXFP1 Q9HBX9 4/20 0.56
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 6/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 3/20 0.49
GLA P06280 1/20 0.49
TP53 P04637 1/20 0.48
APOBEC3A P31941 1/20 0.46
MYC P01106 1/20 0.46
MAX P61244 1/20 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
SCHEMBL1718002 0.90 KMT2A (0.65) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL1719015 0.90 KMT2A (0.58) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL1719448 0.89 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL1719596 0.89 KMT2A (0.56) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL1718447 0.89 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL1718710 0.89 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL1719290 0.87 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL1718748 0.86 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL1718417 0.86 RXFP1 (0.66) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL1719214 0.85 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MAPTPOLB

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