SCHEMBL1718646

SCHEMBL1718646

N#CCNC(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.74
ALDH1A1 P00352 11/20 0.71
KMT2A Q03164 5/20 0.71
MAPT P10636 5/20 0.71
MEN1 O00255 3/20 0.71
POLB P06746 2/20 0.71
ESR1 P03372 1/20 0.71
BLM P54132 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
KDM4E B2RXH2 9/20 0.52
GAA P10253 4/20 0.52
HPGD P15428 7/20 0.49
GLA P06280 2/20 0.49
CASP1 P29466 3/20 0.48
CASP7 P55210 3/20 0.48
HSD17B10 Q99714 3/20 0.48
TAAR1 Q96RJ0 1/20 0.48

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
SCHEMBL1718708 0.88 ALDH1A1 (0.72) RXFP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL1719356 0.88 ALDH1A1 (0.71) RXFP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL1717876 0.87 ALDH1A1 (0.70) RXFP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL1718178 0.86 ALDH1A1 (0.80) RXFP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL1719301 0.86 ALDH1A1 (0.76) RXFP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL1718964 0.85 RXFP1 (1.00) RXFP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL1718936 0.84 ALDH1A1 (0.66) RXFP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL1718368 0.84 ALDH1A1 (0.69) RXFP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL1718905 0.84 ALDH1A1 (0.73) RXFP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL1718748 0.83 ALDH1A1 (0.61) RXFP1ALDH1A1KMT2AMAPTMEN1

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