SCHEMBL8552117

SCHEMBL8552117

COC(=O)N(c1c(C#N)c(C)nn1-c1ccccc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
NTRK1 P04629 1/20 0.42
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
ABCB1 P08183 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.38
HSD17B10 Q99714 1/20 0.38
FPR1 P21462 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
APEX1 P27695 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8553324 0.79 KDM4E (0.43) KDM4EHPGDALDH1A1LMNANTRK1
SCHEMBL8550649 0.79 NTRK1 (0.46) KDM4EHPGDALDH1A1LMNANTRK1
SCHEMBL8553095 0.78 ALDH1A1 (0.46) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8553151 0.74 KDM4E (0.43) KDM4EHPGDALDH1A1LMNANTRK1
SCHEMBL8551978 0.73 KDM4E (0.44) KDM4EHPGDALDH1A1NTRK1MAPT
SCHEMBL8553146 0.72 NTRK1 (0.54) KDM4EHPGDALDH1A1LMNANTRK1
SCHEMBL8555334 0.69 MAPT (0.46) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL8553162 0.69 GAA (0.45) KDM4EHPGDALDH1A1LMNANTRK1
SCHEMBL23116826 0.67 GAA (0.46) KDM4EHPGDALDH1A1LMNAMAPT
SCHEMBL2546236 0.67 GAA (0.68) KDM4EHPGDALDH1A1LMNAMAPT

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-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed