SCHEMBL1718967

SCHEMBL1718967

CC(=O)c1cccc(NC(=O)c2nn3c(C(F)(F)F)cc(-c4ccc(C)cc4)nc3c2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
RXFP1 Q9HBX9 1/20 0.55
PTGES O14684 1/20 0.54
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.49
TP53 P04637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.47
THRB P10828 2/20 0.47

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
SCHEMBL1719649 0.84 KMT2A (0.58) MAPTRXFP1PTGESCYP1A2CYP3A4
SCHEMBL1718414 0.83 PTGES (0.65) MAPTRXFP1PTGESCYP1A2CYP3A4
SCHEMBL1718523 0.83 THRB (0.68) MAPTRXFP1PTGESCYP1A2CYP3A4
SCHEMBL1718483 0.83 MAPT (0.62) MAPTRXFP1PTGESCYP1A2CYP3A4
SCHEMBL1718761 0.82 MAPT (0.69) MAPTRXFP1PTGESCYP1A2CYP3A4
SCHEMBL1719241 0.82 PTGES (0.64) MAPTRXFP1PTGESCYP1A2CYP3A4
SCHEMBL1718548 0.82 MAPT (0.64) MAPTRXFP1PTGESCYP1A2CYP3A4
SCHEMBL1719658 0.82 MAPT (0.71) MAPTRXFP1PTGESCYP1A2CYP3A4
SCHEMBL1719437 0.81 MAPT (0.65) MAPTRXFP1PTGESCYP1A2CYP3A4
SCHEMBL1719272 0.80 THRB (0.61) MAPTRXFP1PTGESCYP1A2CYP3A4

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