SCHEMBL21101917

SCHEMBL21101917

COc1cc(CC(=O)NC(C)=N)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 4/20 0.51
LMNA P02545 4/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 7/20 0.50
MAPK10 P53779 2/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL10744953 0.83 ALDH1A1 (0.56) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5742233 0.80 KDM4E (0.60) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL4320604 0.80 KDM4E (0.60) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL17993523 0.80 ALDH1A1 (0.54) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL2605820 0.79 KMT2A (0.56) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL2307800 0.78 PTGS2 (0.55) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL14543978 0.78 SMN1; SMN2 (0.59) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7131019 0.76 KMT2A (0.58) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL4683243 0.76 KDM4E (0.55) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7046945 0.76 PTGS2 (0.57) KDM4EALDH1A1LMNAGAASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019111225-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS AVALIV THERAPEUTICS (US) 2019-06-13 WO disclosed