SCHEMBL10695931

SCHEMBL10695931

Cc1cc(-c2cccc(CF)c2)n2ncc(C#N)c2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.70
ALDH1A1 P00352 3/20 0.70
HPGD P15428 3/20 0.70
MAPK1 P28482 3/20 0.70
GLA P06280 1/20 0.70
HSD17B10 Q99714 1/20 0.70
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
STAT1 P42224 2/20 0.44
CSNK2A1 P68400 3/20 0.43
GABRA1 P14867 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRA2 P47869 3/20 0.43
CLK4 Q9HAZ1 1/20 0.43
GABRB2 P47870 1/20 0.42
AOX1 Q06278 1/20 0.42

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
SCHEMBL9869931 0.82 KDM4E (0.75) KDM4EALDH1A1HPGDMAPK1GLA
SCHEMBL9468353 0.82 KDM4E (0.70) KDM4EALDH1A1HPGDMAPK1GLA
SCHEMBL9869067 0.76 KDM4E (0.76) KDM4EALDH1A1HPGDMAPK1GLA
SCHEMBL1007511 0.70 KDM4E (0.62) KDM4EALDH1A1HPGDMAPK1GLA
SCHEMBL18343696 0.69 KDM4E (0.61) KDM4EALDH1A1HPGDMAPK1GLA
SCHEMBL10556176 0.68 KDM4E (0.60) KDM4EALDH1A1HPGDMAPK1GLA
SCHEMBL24225890 0.68 KDM4E (0.59) KDM4EALDH1A1HPGDMAPK1GLA
SCHEMBL18343698 0.68 KDM4E (0.59) KDM4EALDH1A1HPGDMAPK1GLA
SCHEMBL9468711 0.68 KDM4E (0.71) KDM4EALDH1A1HPGDMAPK1GLA
SCHEMBL30579781 0.68 KDM4E (0.71) KDM4EALDH1A1HPGDMAPK1GLA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP disclosed