SCHEMBL9836876

SCHEMBL9836876

Cc1c(Cn2ccnc2)sc2c1CCC(OC(=O)O)=C2

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 18/20 0.45
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADORA2B P29275 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
SCHEMBL9837300 0.86 TBXAS1 (0.59) TBXAS1CYP11B1CYP11B2
SCHEMBL10550670 0.83 TBXAS1 (0.47) TBXAS1CYP11B1CYP11B2
SCHEMBL9836523 0.76 TBXAS1 (0.74) TBXAS1CYP11B1CYP11B2
SCHEMBL9835717 0.73 TBXAS1 (0.44) TBXAS1CYP11B1CYP11B2ADORA2B
SCHEMBL9834048 0.72 TBXAS1 (0.71) TBXAS1CYP11B1CYP11B2
SCHEMBL9835320 0.71 TBXAS1 (0.61) TBXAS1CYP11B1CYP11B2ADORA2B
Hydrochloric Acid SCHEMBL10548468 0.70 TBXAS1 (0.60) TBXAS1CYP11B1CYP11B2ADORA2B
SCHEMBL9837516 0.70 TBXAS1 (0.59) TBXAS1
SCHEMBL9836019 0.66 TBXAS1 (0.72) TBXAS1
SCHEMBL10855281 0.62 TBXAS1 (1.00) TBXAS1

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
EP-0240107-B1 THIANAPHTHENE DERIVATIVES, THEIR PRODUCTION AND USE Sankyo Company Limited (JP) 1991-08-21 EP claimed