SCHEMBL1718993

SCHEMBL1718993

O=C(c1ccccc1)N1CCN(C(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.71
ALDH1A1 P00352 10/20 0.71
HTT P42858 2/20 0.71
APOBEC3A P31941 1/20 0.71
HPGD P15428 12/20 0.66
NPSR1 Q6W5P4 2/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
LMNA P02545 1/20 0.66
MAPT P10636 5/20 0.64
GAA P10253 2/20 0.64
HSD17B10 Q99714 4/20 0.63
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MAPK1 P28482 1/20 0.60
RXFP1 Q9HBX9 1/20 0.59
KLK7 P49862 1/20 0.57
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56
GLA P06280 1/20 0.56

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
SCHEMBL4211222 0.91 ALDH1A1 (0.69) KDM4EALDH1A1HTTAPOBEC3AHPGD
SCHEMBL4197490 0.90 KDM4E (0.74) KDM4EALDH1A1HTTAPOBEC3AHPGD
SCHEMBL1718295 0.89 KDM4E (0.72) KDM4EALDH1A1HTTAPOBEC3AHPGD
SCHEMBL1718960 0.88 KDM4E (0.72) KDM4EALDH1A1HTTAPOBEC3AHPGD
SCHEMBL4210939 0.87 KDM4E (0.66) KDM4EALDH1A1HTTAPOBEC3AHPGD
SCHEMBL4206718 0.86 HSD17B10 (0.84) KDM4EALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL1718653 0.85 KDM4E (0.70) KDM4EALDH1A1HTTAPOBEC3AHPGD
SCHEMBL1719204 0.85 ALDH1A1 (0.70) KDM4EALDH1A1HTTAPOBEC3AHPGD
SCHEMBL4204177 0.84 KDM4E (0.70) KDM4EALDH1A1HTTAPOBEC3AHPGD
SCHEMBL3277995 0.84 KDM4E (1.00) KDM4EALDH1A1HTTAPOBEC3AHPGD

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