SCHEMBL8551978

SCHEMBL8551978

COC(=O)N(CCN1CCOCC1)c1c(C#N)c(C)nn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NTRK1 P04629 1/20 0.41
MAPT P10636 2/20 0.41
CASR P41180 6/20 0.40
CFTR P13569 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM5B Q9UGL1 1/20 0.38
TSHR P16473 1/20 0.37

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 0.83 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL8550649 0.83 NTRK1 (0.46) KDM4EALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL8554394 0.81 ALDH1A1 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL8551939 0.74 ALDH1A1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL8552117 0.73 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL8556539 0.66 MAPT (0.42) ALDH1A1SMN1; SMN2L3MBTL1NTRK1MAPT
SCHEMBL8553151 0.66 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL8553146 0.65 NTRK1 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2NTRK1
SCHEMBL22281749 0.61 TDP1 (0.48) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL854938 0.61 ALDH1A1 (1.00) KDM4EALDH1A1HPGDSMN1; SMN2L3MBTL1

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