SCHEMBL1719793

SCHEMBL1719793

O=C(Nc1ccc(Cl)c(Cl)c1)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.63
MAPT P10636 4/20 0.62
THRB P10828 1/20 0.52
TP53 P04637 1/20 0.51
USP2 O75604 1/20 0.50
MAPK1 P28482 1/20 0.49
PTGES O14684 1/20 0.48
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
APOBEC3A P31941 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TTR P02766 1/20 0.45

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
SCHEMBL1719938 0.93 RXFP1 (0.61) RXFP1MAPTTHRBUSP2MAPK1
SCHEMBL1718328 0.93 MAPT (0.62) RXFP1MAPTPTGESPOLBMEN1
SCHEMBL1719295 0.91 RXFP1 (0.65) RXFP1MAPTTHRBUSP2MAPK1
SCHEMBL1718994 0.91 MAPT (0.65) RXFP1MAPTTHRBTP53USP2
SCHEMBL1720133 0.89 RXFP1 (0.71) RXFP1MAPTTHRBUSP2MAPK1
SCHEMBL1719926 0.89 MAPT (0.67) RXFP1MAPTTHRBUSP2MAPK1
SCHEMBL1717682 0.89 RXFP1 (0.67) RXFP1MAPTTHRBTP53USP2
SCHEMBL1718640 0.87 RXFP1 (0.66) RXFP1MAPTTHRBTP53USP2
SCHEMBL1719214 0.86 ALDH1A1 (0.62) RXFP1MAPTPOLBMEN1ALDH1A1
SCHEMBL1717929 0.85 PTGES (0.64) RXFP1MAPTUSP2MAPK1PTGES

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