SCHEMBL28540429

SCHEMBL28540429

CCOC(=O)c1ccc(Nc2cccc(OC)c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.62
EGFR P00533 1/20 0.62
ERBB3 P21860 1/20 0.62
MAPT P10636 3/20 0.59
TP53 P04637 2/20 0.59
MTNR1A P48039 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 4/20 0.48
PKM P14618 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 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
SCHEMBL29031101 0.88 SMN1; SMN2 (0.52) MTNR1BEGFRERBB3MAPTTP53
SCHEMBL28543171 0.87 PDE4B (0.51) MTNR1BEGFRERBB3MAPTTP53
SCHEMBL28532052 0.85 HTT (0.56) MTNR1BEGFRERBB3MAPTTP53
SCHEMBL28543158 0.84 SMN1; SMN2 (0.53) MAPTTP53SMN1; SMN2KDM4ENPC1
SCHEMBL29031128 0.80 SMN1; SMN2 (0.47) MAPTTP53SMN1; SMN2KDM4ENPC1
SCHEMBL28545378 0.80 SMN1; SMN2 (0.48) MAPTTP53SMN1; SMN2KDM4ENPC1
SCHEMBL28532069 0.79 ALDH1A1 (0.54) MAPTTP53SMN1; SMN2KDM4ENPC1
SCHEMBL28545895 0.79 MAPT (0.46) MAPTSMN1; SMN2KDM4ERAB9AMEN1
SCHEMBL20338803 0.78 MAPT (0.47) EGFRERBB3MAPTTP53SMN1; SMN2
SCHEMBL2828075 0.76 EGFR (0.57) MTNR1BEGFRERBB3MAPTTP53

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-111925357-B Acylhydrazone compound, pharmaceutical composition and application thereof 中国科学院昆明植物研究所 2023-06-06 CN disclosed
CN-111925357-A Acylhydrazone compound, pharmaceutical composition and application thereof 中国科学院昆明植物研究所 2020-11-13 CN disclosed