SCHEMBL1007301

SCHEMBL1007301

Cc1cc(C(F)(F)F)n2ncc(C#N)c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
HSD17B10 Q99714 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
GLA P06280 1/20 0.56
MAPK1 P28482 1/20 0.56
MAPT P10636 1/20 0.56
POLB P06746 1/20 0.54
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
PDE2A O00408 2/20 0.49
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CDK2 P24941 1/20 0.42
CSNK2A1 P68400 2/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL1008264 0.84 LMNA (0.45) KDM4EHSD17B10ALDH1A1HPGDGLA
SCHEMBL1007907 0.83 KDM4E (0.41) KDM4EHSD17B10ALDH1A1HPGDGLA
SCHEMBL1924374 0.80 KDM4E (0.64) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL1007511 0.80 KDM4E (0.62) KDM4EHSD17B10ALDH1A1HPGDGLA
SCHEMBL18343696 0.78 KDM4E (0.61) KDM4EHSD17B10ALDH1A1HPGDGLA
SCHEMBL1925112 0.78 MAPT (0.55) KDM4EHSD17B10ALDH1A1HPGDGLA
SCHEMBL24225890 0.77 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDGLA
SCHEMBL18343698 0.77 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDGLA
SCHEMBL1009507 0.77 CSNK2A1 (0.67) KDM4EHSD17B10ALDH1A1HPGDGLA
SCHEMBL313181 0.76 CSNK2A1 (0.56) KDM4EHSD17B10ALDH1A1HPGDMAPK1

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-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed