SCHEMBL7323385

SCHEMBL7323385

COc1cc(C(=O)NCC(C)(C)NCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
LMNA P02545 2/20 0.62
HPGD P15428 1/20 0.62
KMT2A Q03164 5/20 0.54
BRD4 O60885 1/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 2/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RAB9A P51151 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL2919972 0.85 SMN1; SMN2 (0.82) SMN1; SMN2LMNAHPGDKMT2ABRD4
SCHEMBL9875462 0.75 KMT2A (0.61) SMN1; SMN2KMT2ABRD4MAPK1L3MBTL1
SCHEMBL24162968 0.74 HPGD (0.70) SMN1; SMN2LMNAHPGDKMT2AALDH1A1
SCHEMBL6848908 0.74 SMN1; SMN2 (0.66) SMN1; SMN2LMNAHPGDKMT2ABRD4
SCHEMBL9543614 0.73 MEN1 (0.67) SMN1; SMN2LMNAHPGDKMT2AALDH1A1
SCHEMBL10949279 0.73 ALDH1A1 (0.69) SMN1; SMN2LMNAHPGDKMT2AALDH1A1
SCHEMBL4738279 0.71 DUSP3 (0.71) SMN1; SMN2LMNAHPGDKMT2AALDH1A1
SCHEMBL28859140 0.71 NR1H4 (0.82) SMN1; SMN2LMNAHPGDALDH1A1L3MBTL1
SCHEMBL11639395 0.71 ALDH1A1 (0.61) SMN1; SMN2LMNAHPGDKMT2ABRD4
SCHEMBL2926787 0.71 ALDH1A1 (0.78) SMN1; SMN2LMNAHPGDKMT2AALDH1A1

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-0293925-A2 Compound active in cardiovascular therapy SIMES, SOCIETA ITALIANA MEDICINALI E SINTETICI, S.P.A. (IT) 1988-12-07 EP disclosed