SCHEMBL9835519

SCHEMBL9835519

COC(=O)C1=Cc2cc(CCn3ccnc3)sc2CC1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.77
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.36
AHR P35869 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PLAA Q9Y263 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9835676 0.89 TBXAS1 (0.76) TBXAS1KDM4EAHRNPSR1ALPI
SCHEMBL9837324 0.87 TBXAS1 (1.00) TBXAS1GAAALDH1A1ALPIALPG
SCHEMBL9835492 0.85 TBXAS1 (0.80) TBXAS1GAAALDH1A1ALPIALPG
SCHEMBL9835184 0.83 TBXAS1 (0.61) TBXAS1GAAALDH1A1KDM4EAHR
SCHEMBL9836019 0.80 TBXAS1 (0.72) TBXAS1GAAALDH1A1ALPIALPG
SCHEMBL9835986 0.79 TBXAS1 (0.46) TBXAS1KDM4E
SCHEMBL9836524 0.77 TBXAS1 (0.43) TBXAS1GAAKDM4ETDP1L3MBTL1
SCHEMBL9836890 0.76 TBXAS1 (1.00) TBXAS1
SCHEMBL9834683 0.73 TBXAS1 (0.40) TBXAS1ALDH1A1
SCHEMBL9834823 0.73 TBXAS1 (0.40) TBXAS1GAAALDH1A1KDM4ENPSR1

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