SCHEMBL9837013

SCHEMBL9837013

O=C(O)C1CCc2cc(CCn3ccnc3)sc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 1.00
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.37
CYP19A1 P11511 1/20 0.35
PDK1 Q15118 1/20 0.34

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
Hydrochloric Acid SCHEMBL9837253 0.99 TBXAS1 (0.98) TBXAS1ALDH1A1GAAEGLN3
SCHEMBL9837142 0.89 TBXAS1 (1.00) TBXAS1ALDH1A1GAA
SCHEMBL9835790 0.89 TBXAS1 (0.79) TBXAS1ALDH1A1GAA
Hydrochloric Acid SCHEMBL9836713 0.88 TBXAS1 (0.98) TBXAS1ALDH1A1GAA
SCHEMBL9837494 0.84 TBXAS1 (0.73) TBXAS1ALDH1A1GAAEGLN3
SCHEMBL9835122 0.80 TBXAS1 (0.70) TBXAS1ALDH1A1GAACYP19A1
SCHEMBL9834596 0.80 TBXAS1 (1.00) TBXAS1ALDH1A1GAA
Hydrochloric Acid SCHEMBL9836537 0.79 TBXAS1 (0.98) TBXAS1ALDH1A1GAA
SCHEMBL9837500 0.78 TBXAS1 (0.80) TBXAS1ALDH1A1GAACYP19A1
SCHEMBL9834133 0.77 TBXAS1 (0.78) TBXAS1ALDH1A1GAACYP19A1

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