SCHEMBL27360280

SCHEMBL27360280

C=CCOC(=O)N(C)n1ccnc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SNCA P37840 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL27352531 0.84 CA12 (0.33) CYP3A4ALDH1A1KDM4ESNCACA1
SCHEMBL27362843 0.75 CYP3A4 (0.38) CYP3A4ALDH1A1KDM4ESNCAKMT2A
SCHEMBL28889147 0.69 KMT2A (0.50) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL27363793 0.68 CSNK2A2 (0.32) CYP3A4KMT2AMEN1
SCHEMBL797852 0.66
SCHEMBL27362838 0.65 ALDH1A1 (0.39) CYP3A4ALDH1A1SNCAKMT2AMEN1
SCHEMBL10690119 0.64
SCHEMBL9547338 0.64
SCHEMBL88871 0.64 CHRNB2 (0.54) CYP3A4ALDH1A1KDM4EKMT2AMEN1
SCHEMBL27360279 0.64 CYP3A4 (0.33) CYP3A4NPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1057091-C Novelc arbapenem derivatives MEIJI SEIKA CO (JP) 2000-10-04 CN disclosed
CN-1148390-A Novelc arbapenem derivatives MEIJI SEIKA CO (JP) 1997-04-23 CN disclosed