SCHEMBL1718042

SCHEMBL1718042

O=C(NC1CCCC1)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.73
MEN1 O00255 3/20 0.73
ALDH1A1 P00352 3/20 0.73
RXFP1 Q9HBX9 4/20 0.65
MAPT P10636 2/20 0.53
KDM4E B2RXH2 3/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 3/20 0.49
TSHR P16473 2/20 0.49
USP2 O75604 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HPGD P15428 2/20 0.49
ALOX15 P16050 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL1719053 0.99 KMT2A (0.75) KMT2AMEN1ALDH1A1RXFP1MAPT
SCHEMBL1719355 0.85 ALDH1A1 (0.98) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL1719445 0.84 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1RXFP1MAPT
SCHEMBL4210744 0.84 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL1720133 0.83 RXFP1 (0.71) KMT2AMEN1ALDH1A1RXFP1MAPT
SCHEMBL3282802 0.82 RXFP1 (0.69) KMT2AMEN1ALDH1A1RXFP1MAPT
SCHEMBL1718386 0.82 KMT2A (0.67) KMT2AMEN1ALDH1A1RXFP1MAPT
SCHEMBL1719430 0.82 RXFP1 (0.72) KMT2AMEN1ALDH1A1RXFP1MAPT
SCHEMBL1718651 0.82 RXFP1 (0.78) KMT2AMEN1ALDH1A1RXFP1MAPT
SCHEMBL1718538 0.81 RXFP1 (0.68) KMT2AMEN1ALDH1A1RXFP1MAPT

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