SCHEMBL1718707

SCHEMBL1718707

CC1CCCCN1C(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.64
ALDH1A1 P00352 10/20 0.64
HTT P42858 6/20 0.64
APOBEC3A P31941 1/20 0.64
HPGD P15428 11/20 0.62
NPSR1 Q6W5P4 3/20 0.62
MAPT P10636 4/20 0.60
GAA P10253 3/20 0.60
LMNA P02545 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
MAPK1 P28482 3/20 0.57
RXFP1 Q9HBX9 1/20 0.55
MYC P01106 1/20 0.53
MAX P61244 1/20 0.53
HSD17B10 Q99714 7/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
CASP1 P29466 3/20 0.52
CASP7 P55210 3/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL1719095 0.85 KDM4E (0.77) KDM4EALDH1A1HTTHPGDNPSR1
SCHEMBL1718295 0.84 KDM4E (0.72) KDM4EALDH1A1HTTAPOBEC3AHPGD
SCHEMBL4198295 0.82 HPGD (0.67) KDM4EALDH1A1HTTHPGDNPSR1
SCHEMBL4198085 0.82 KDM4E (0.64) KDM4EALDH1A1HTTAPOBEC3AHPGD
SCHEMBL4210280 0.82 KDM4E (0.74) KDM4EALDH1A1HTTHPGDNPSR1
SCHEMBL4203278 0.82 HPGD (0.58) KDM4EALDH1A1HTTHPGDNPSR1
SCHEMBL4197490 0.82 KDM4E (0.74) KDM4EALDH1A1HTTAPOBEC3AHPGD
SCHEMBL4212072 0.81 HPGD (0.56) KDM4EALDH1A1HTTHPGDNPSR1
SCHEMBL4211598 0.81 TTR (0.64) KDM4EALDH1A1HTTHPGDNPSR1
SCHEMBL13167295 0.81 ALDH1A1 (0.75) KDM4EALDH1A1HTTHPGDNPSR1

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