SCHEMBL1719288

SCHEMBL1719288

Cc1c(Cl)cccc1NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 6/20 0.64
MAPT P10636 4/20 0.58
THRB P10828 4/20 0.55
USP2 O75604 2/20 0.51
POLB P06746 1/20 0.50
APOBEC3A P31941 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
MAPK1 P28482 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 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
SCHEMBL1718851 0.91 MAPT (0.68) RXFP1MAPTTHRBUSP2MAPK1
SCHEMBL1719614 0.91 RXFP1 (0.63) RXFP1MAPTTHRBUSP2POLB
SCHEMBL1718828 0.87 PTGES (0.60) RXFP1MAPTTHRBUSP2MAPK1
SCHEMBL1719212 0.86 RXFP1 (0.62) RXFP1MAPTTHRBUSP2POLB
SCHEMBL1717679 0.86 ALDH1A1 (0.60) RXFP1MAPTTHRBPOLBAPOBEC3A
SCHEMBL1718538 0.86 RXFP1 (0.68) RXFP1MAPTUSP2POLBAPOBEC3A
SCHEMBL1719075 0.85 RXFP1 (0.59) RXFP1MAPTTHRBUSP2POLB
SCHEMBL1717909 0.85 RXFP1 (0.62) RXFP1MAPTTHRBUSP2POLB
SCHEMBL1719021 0.84 RXFP1 (0.60) RXFP1MAPTTHRBPOLBMEN1
SCHEMBL1719381 0.84 RXFP1 (0.64) RXFP1MAPTUSP2POLBAPOBEC3A

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