SCHEMBL1718900

SCHEMBL1718900

CC(C)CNC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc2c1Br

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.65
POLB P06746 2/20 0.55
MAPT P10636 6/20 0.55
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 3/20 0.49
ESR1 P03372 1/20 0.49
BLM P54132 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PTGES O14684 1/20 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
SCHEMBL1718197 0.84 RXFP1 (0.69) RXFP1POLBMAPTGAAL3MBTL1
SCHEMBL1719356 0.83 ALDH1A1 (0.71) RXFP1POLBMAPTGAAKMT2A
SCHEMBL1718201 0.83 MAPT (0.67) RXFP1POLBMAPTGAAL3MBTL1
SCHEMBL4200432 0.81 RXFP1 (0.59) RXFP1POLBMAPTGAAL3MBTL1
SCHEMBL5658010 0.81 RXFP1 (0.59) RXFP1POLBMAPTGAAL3MBTL1
SCHEMBL1718296 0.81 ALDH1A1 (0.75) RXFP1POLBMAPTGAAL3MBTL1
SCHEMBL1718651 0.80 RXFP1 (0.78) RXFP1POLBMAPTGAAL3MBTL1
SCHEMBL1718369 0.79 RXFP1 (0.59) RXFP1POLBMAPTGAAL3MBTL1
SCHEMBL1718964 0.79 RXFP1 (1.00) RXFP1POLBMAPTKMT2AMEN1
SCHEMBL1718426 0.79 MAPT (0.62) RXFP1POLBMAPTGAAL3MBTL1

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