SCHEMBL9836336

SCHEMBL9836336

COC(=O)C1CCc2sc(Cn3ccnc3)cc2C1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.78
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CYP19A1 P11511 2/20 0.38
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
AGTR2 P50052 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 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
SCHEMBL9834133 0.92 TBXAS1 (0.78) TBXAS1ALDH1A1GAACYP19A1PDE4B
SCHEMBL9834596 0.88 TBXAS1 (1.00) TBXAS1ALDH1A1GAA
Hydrochloric Acid SCHEMBL9836537 0.87 TBXAS1 (0.98) TBXAS1ALDH1A1GAA
SCHEMBL9835790 0.81 TBXAS1 (0.79) TBXAS1ALDH1A1GAAPDE4BPDE4D
SCHEMBL9835990 0.81 TBXAS1 (0.72) TBXAS1ALDH1A1GAAAGTR2
SCHEMBL9837142 0.79 TBXAS1 (1.00) TBXAS1ALDH1A1GAA
Hydrochloric Acid SCHEMBL9836713 0.78 TBXAS1 (0.98) TBXAS1ALDH1A1GAA
SCHEMBL9837500 0.77 TBXAS1 (0.80) TBXAS1ALDH1A1GAACYP19A1
SCHEMBL9871295 0.75 TBXAS1 (0.55) TBXAS1ALDH1A1GAACYP19A1PDE4B
SCHEMBL9836741 0.75 TBXAS1 (0.53) TBXAS1ALDH1A1GAACYP19A1NPC1

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