SCHEMBL1718538

SCHEMBL1718538

O=C(Nc1ccccc1Br)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.68
MAPT P10636 4/20 0.60
POLB P06746 2/20 0.51
APOBEC3A P31941 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
ALDH1A1 P00352 7/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
USP2 O75604 1/20 0.49
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.47
ESR1 P03372 1/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL1719133 0.90 MAPT (0.63) RXFP1MAPTALDH1A1USP2KDM4E
SCHEMBL1720133 0.90 RXFP1 (0.71) RXFP1MAPTPOLBAPOBEC3ACTDSP1
SCHEMBL1719614 0.88 RXFP1 (0.63) RXFP1MAPTPOLBAPOBEC3ACTDSP1
SCHEMBL1717682 0.87 RXFP1 (0.67) RXFP1MAPTPOLBAPOBEC3ACTDSP1
SCHEMBL1717909 0.87 RXFP1 (0.62) RXFP1MAPTPOLBAPOBEC3ACTDSP1
SCHEMBL1719212 0.87 RXFP1 (0.62) RXFP1MAPTPOLBAPOBEC3ACTDSP1
SCHEMBL1719381 0.86 RXFP1 (0.64) RXFP1MAPTPOLBAPOBEC3ACTDSP1
SCHEMBL1719731 0.86 RXFP1 (0.61) RXFP1MAPTPOLBAPOBEC3ACTDSP1
SCHEMBL1719288 0.86 RXFP1 (0.64) RXFP1MAPTPOLBAPOBEC3ACTDSP1
SCHEMBL1719295 0.85 RXFP1 (0.65) RXFP1MAPTPOLBAPOBEC3ACTDSP1

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