SCHEMBL9809089

SCHEMBL9809089

Cc1c(SSc2c(C)n(C)n(-c3cccc4ccccc34)c2=O)c(=O)n(-c2cccc3ccccc23)n1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
ELANE P08246 1/20 0.39
GSR P00390 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HCAR1 Q9BXC0 1/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9809097 0.89 GSK3A (0.40) GSK3AGSK3BMAPTALDH1A1KDM4E
SCHEMBL9809100 0.85 MAPT (0.38) GSK3AGSK3BMAPTALDH1A1KDM4E
SCHEMBL11611721 0.84 GSK3A (0.45) GSK3AGSK3BMAPTALDH1A1KDM4E
SCHEMBL9809065 0.74 ALOX15 (0.62) MAPTALDH1A1KDM4EPOLBGAA
SCHEMBL9809091 0.70 HTR3E (0.41) MAPTALDH1A1GAABCHEPTGS2
SCHEMBL3527177 0.68 ALDH1A1 (0.41) GSK3AGSK3BMAPTALDH1A1KDM4E
SCHEMBL3533226 0.67 ALDH1A1 (0.40) GSK3AGSK3BMAPTALDH1A1KDM4E
SCHEMBL11619799 0.67 GSK3A (0.43) GSK3AGSK3BMAPTALDH1A1KDM4E
SCHEMBL9809075 0.66 BCHE (0.47) MAPTALDH1A1KDM4EPOLBGLA
SCHEMBL28883352 0.64 POLB (0.70) GSK3AGSK3BMAPTALDH1A1KDM4E

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-5063245-A Hormone inhibitors NOVA PHARMACEUTICAL CORPORATION (US) 1991-11-05 US disclosed