SCHEMBL9743183

SCHEMBL9743183

CCOC(=O)CCC(C#N)(C(=O)OCC)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
CCR1 P32246 1/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SQOR Q9Y6N5 1/20 0.35

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
SCHEMBL8891230 0.80 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AGAALMNA
SCHEMBL31585050 0.78 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AGAALMNA
SCHEMBL6996539 0.76 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2AGAALMNA
SCHEMBL8044989 0.75 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AGAALMNA
SCHEMBL8035702 0.74 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AGAALMNA
SCHEMBL11375095 0.74 CYP3A4 (0.39) SMN1; SMN2MEN1KMT2AGAALMNA
SCHEMBL9734250 0.74 CCR1 (0.54) SMN1; SMN2ALDH1A1CCR1CYP4F2CYP4A11
SCHEMBL29547761 0.73 MAPT (0.45) SMN1; SMN2MEN1KMT2AGAALMNA
SCHEMBL9735256 0.72 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AGAALMNA
SCHEMBL3134099 0.72 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2AGAALMNA

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
US-5164386-A Gastrointestinal and respiratory disorders ISTITUTO DE ANGELI S.P.A. (IT) 1992-11-17 US disclosed