SCHEMBL1719926

SCHEMBL1719926

O=C(Nc1cccc(Cl)c1)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
RXFP1 Q9HBX9 4/20 0.67
THRB P10828 1/20 0.56
USP2 O75604 1/20 0.50
PTGES O14684 1/20 0.48
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 0.46
CTDSP1 Q9GZU7 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ESR1 P03372 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL1720133 0.91 RXFP1 (0.71) MAPTRXFP1THRBUSP2PTGES
SCHEMBL1719295 0.91 RXFP1 (0.65) MAPTRXFP1THRBUSP2PTGES
SCHEMBL1718483 0.91 MAPT (0.62) MAPTRXFP1THRBUSP2PTGES
SCHEMBL1719938 0.89 RXFP1 (0.61) MAPTRXFP1THRBUSP2PTGES
SCHEMBL1719793 0.89 RXFP1 (0.63) MAPTRXFP1THRBUSP2PTGES
SCHEMBL1717682 0.87 RXFP1 (0.67) MAPTRXFP1THRBUSP2PTGES
SCHEMBL1719212 0.86 RXFP1 (0.62) MAPTRXFP1THRBUSP2PTGES
SCHEMBL1719241 0.86 PTGES (0.64) MAPTRXFP1THRBUSP2PTGES
SCHEMBL1718853 0.86 KMT2A (0.62) MAPTRXFP1POLBMEN1ALDH1A1
SCHEMBL1719731 0.85 RXFP1 (0.61) MAPTRXFP1THRBUSP2PTGES

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 1 patent. 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 disclosed