SCHEMBL9834873

SCHEMBL9834873

COC(=O)C1CC(=O)c2ccsc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
BUB1 O43683 1/20 0.42
HTR2C P28335 4/20 0.40
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.39
F2 P00734 3/20 0.37
F10 P00742 1/20 0.37
PDE7A Q13946 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
SCHEMBL6994471 0.85 ALDH1A1 (0.53) KMT2AHTR2CALDH1A1KDM4EMAPT
SCHEMBL8911487 0.74 KMT2A (0.56) KMT2ABUB1HTR2CBRD4ALDH1A1
SCHEMBL15519819 0.74 KMT2A (0.56) KMT2ABUB1HTR2CBRD4ALDH1A1
SCHEMBL16886968 0.72 HTR2C (0.39) KMT2AHTR2CALDH1A1KDM4EMAPT
SCHEMBL15606100 0.72 HTR2C (0.39) KMT2AHTR2CALDH1A1KDM4EMAPT
SCHEMBL16663984 0.71 HTR2C (0.48) KMT2AHTR2CALDH1A1MAPT
SCHEMBL7613074 0.71 KMT2A (0.56) KMT2ABRD4ALDH1A1MAPTPDE7A
SCHEMBL15606018 0.71 HTR2C (0.51) KMT2AHTR2CALDH1A1KDM4E
SCHEMBL7034883 0.71 KMT2A (0.52) KMT2ABUB1HTR2CBRD4ALDH1A1
SCHEMBL30834248 0.71 KMT2A (0.52) KMT2ABUB1HTR2CBRD4ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240107-B1 THIANAPHTHENE DERIVATIVES, THEIR PRODUCTION AND USE Sankyo Company Limited (JP) 1991-08-21 EP disclosed
US-5021444-A Anticoagulants SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
US-4847272-A ANTICOAGULANTS SANKYO COMPANY LIMITED (JP) 1989-07-11 US disclosed
EP-0240107-A1 Thianaphthene derivatives, their production and use Sankyo Company Limited (JP) 1987-10-07 EP disclosed