SCHEMBL9409696

SCHEMBL9409696

COC(=O)Oc1cccc2cc(-c3ccccc3)sc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
CA2 P00918 1/20 0.40
NQO2 P16083 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CNR2 P34972 1/20 0.39
ALOX15 P16050 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL10639081 0.83 CYP1A1 (0.52) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL5230830 0.78 CA2 (0.51) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL8677605 0.77 ALDH1A1 (0.61) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL5728563 0.77 MAPT (0.61) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL11925422 0.71 KDM4E (0.70) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL29525161 0.71 HSD17B10 (0.67) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL1834873 0.71 KDM4E (0.61) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL1598809 0.71 HSD17B10 (0.67) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL1959903 0.70 KDM4E (0.55) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL5234936 0.70 CA2 (0.53) KDM4EHPGDHSD17B10MAPTALDH1A1

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-0630895-A1 4-Bicyclic substituted dihydropyridines, process for their preparation and their use in medicaments BAYER AG (DE) 1994-12-28 EP disclosed