SCHEMBL1719212

SCHEMBL1719212

O=C(Nc1ccc(Cl)cc1Cl)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.62
THRB P10828 2/20 0.56
MAPT P10636 4/20 0.55
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
APOBEC3A P31941 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PTGES O14684 1/20 0.44
ESR1 P03372 1/20 0.44
BLM P54132 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
SCHEMBL1718119 0.93 THRB (0.59) RXFP1THRBMAPTPOLBMEN1
SCHEMBL1718229 0.91 MAPT (0.64) RXFP1THRBMAPTUSP2MAPK1
SCHEMBL1719731 0.90 RXFP1 (0.61) RXFP1THRBMAPTUSP2MAPK1
SCHEMBL1718823 0.89 MAPT (0.69) RXFP1THRBMAPTPOLBMEN1
SCHEMBL1719614 0.88 RXFP1 (0.63) RXFP1THRBMAPTUSP2MAPK1
SCHEMBL1719295 0.88 RXFP1 (0.65) RXFP1THRBMAPTUSP2MAPK1
SCHEMBL1718538 0.87 RXFP1 (0.68) RXFP1MAPTUSP2MAPK1POLB
SCHEMBL1719288 0.86 RXFP1 (0.64) RXFP1THRBMAPTUSP2MAPK1
SCHEMBL1719926 0.86 MAPT (0.67) RXFP1THRBMAPTUSP2MAPK1
SCHEMBL1718203 0.86 ALDH1A1 (0.61) RXFP1THRBMAPTPOLBMEN1

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