SCHEMBL1718385

SCHEMBL1718385

O=C(Nc1cc(Cl)ccc1Cl)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
KMT2A Q03164 6/20 0.61
MEN1 O00255 4/20 0.61
MAPT P10636 3/20 0.61
ESR1 P03372 1/20 0.61
POLB P06746 1/20 0.61
BLM P54132 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 7/20 0.50
RXFP1 Q9HBX9 4/20 0.47
GAA P10253 2/20 0.47
APOBEC3A P31941 1/20 0.46
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1718203 0.93 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1718390 0.92 KMT2A (0.60) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1719814 0.91 KMT2A (0.59) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1718107 0.89 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1718447 0.89 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1717679 0.87 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1718853 0.87 KMT2A (0.62) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1719214 0.87 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1718402 0.86 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1719964 0.86 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1MAPTESR1

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