SCHEMBL11650712

SCHEMBL11650712

COc1ccc(OC)c(C2NC(=O)NC2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA2 P00918 2/20 0.46
RECQL P46063 1/20 0.45
EGFR P00533 1/20 0.45
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL11653846 0.88 ALOX15 (0.59) LMNAMEN1KMT2AALOX15ALDH1A1
SCHEMBL21723541 0.85 TP53 (0.47) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL30550439 0.85 TP53 (0.47) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11649213 0.84 GAA (0.48) LMNAMEN1KMT2AL3MBTL1ALOX15
SCHEMBL21731335 0.84 RECQL (0.44) LMNAMEN1KMT2AL3MBTL1ALOX15
SCHEMBL21723380 0.84 TDP1 (0.51) LMNAMEN1KMT2AL3MBTL1GAA
SCHEMBL30550371 0.84 TDP1 (0.51) LMNAMEN1KMT2AL3MBTL1GAA
SCHEMBL11644988 0.81 ALOX15 (0.46) LMNAMEN1KMT2AALOX15ALDH1A1
SCHEMBL30550385 0.80 POLB (0.63) MEN1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL8595564 0.80 POLB (0.63) MEN1KMT2AL3MBTL1ALDH1A1HTT

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-4094741-A CULTURES, ASYMMETRIC HYDROLYSIS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1978-06-13 US disclosed