SCHEMBL1720133

SCHEMBL1720133

O=C(Nc1ccccc1)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.71
MAPT P10636 4/20 0.69
THRB P10828 1/20 0.55
POLB P06746 1/20 0.52
APOBEC3A P31941 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
USP2 O75604 1/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
PTGES O14684 1/20 0.49

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
SCHEMBL1717682 0.95 RXFP1 (0.67) RXFP1MAPTTHRBPOLBAPOBEC3A
SCHEMBL1719295 0.93 RXFP1 (0.65) RXFP1MAPTTHRBPOLBAPOBEC3A
SCHEMBL1719926 0.91 MAPT (0.67) RXFP1MAPTTHRBPOLBAPOBEC3A
SCHEMBL1718417 0.91 RXFP1 (0.66) RXFP1MAPTTHRBPOLBAPOBEC3A
SCHEMBL1718351 0.91 RXFP1 (0.70) RXFP1MAPTTHRBPOLBAPOBEC3A
SCHEMBL1718538 0.90 RXFP1 (0.68) RXFP1MAPTPOLBAPOBEC3ACTDSP1
SCHEMBL1718201 0.89 MAPT (0.67) RXFP1MAPTPOLBALDH1A1MEN1
SCHEMBL1718640 0.89 RXFP1 (0.66) RXFP1MAPTTHRBPOLBAPOBEC3A
SCHEMBL1719793 0.89 RXFP1 (0.63) RXFP1MAPTTHRBPOLBAPOBEC3A
SCHEMBL1719938 0.88 RXFP1 (0.61) RXFP1MAPTTHRBPOLBAPOBEC3A

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