SCHEMBL1718558

SCHEMBL1718558

O=C(NCc1ccccc1)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.76
APOBEC3A P31941 2/20 0.59
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 4/20 0.57
NPSR1 Q6W5P4 3/20 0.57
MAPT P10636 2/20 0.57
POLB P06746 2/20 0.57
ESR1 P03372 1/20 0.57
BLM P54132 1/20 0.57
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 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
SCHEMBL1718197 0.95 RXFP1 (0.69) RXFP1APOBEC3AMEN1KMT2AALDH1A1
SCHEMBL1719773 0.94 RXFP1 (0.71) RXFP1APOBEC3AMEN1KMT2AALDH1A1
SCHEMBL1719846 0.92 RXFP1 (0.68) RXFP1APOBEC3AMEN1KMT2AALDH1A1
SCHEMBL1717917 0.91 RXFP1 (0.72) RXFP1APOBEC3AMEN1KMT2AALDH1A1
SCHEMBL1718437 0.90 RXFP1 (0.73) RXFP1APOBEC3AMEN1KMT2AALDH1A1
SCHEMBL1718638 0.88 MAPK1 (0.66) RXFP1MEN1KMT2AALDH1A1NPSR1
SCHEMBL1718651 0.87 RXFP1 (0.78) RXFP1APOBEC3AMEN1KMT2AALDH1A1
SCHEMBL1719301 0.87 ALDH1A1 (0.76) RXFP1APOBEC3AMEN1KMT2AALDH1A1
SCHEMBL1718892 0.87 ALDH1A1 (0.76) RXFP1MEN1KMT2AALDH1A1NPSR1
SCHEMBL1719456 0.87 RXFP1 (0.69) RXFP1MEN1KMT2AALDH1A1NPSR1

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