SCHEMBL9837100

SCHEMBL9837100

O=C(O)C=C1CCc2cc(Cn3ccnc3)sc2C1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.60
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9835464 0.87 TBXAS1 (0.53) TBXAS1CYP11B1CYP11B2ALDH1A1GAA
SCHEMBL9836741 0.80 TBXAS1 (0.53) TBXAS1ALDH1A1GAA
SCHEMBL9837142 0.75 TBXAS1 (1.00) TBXAS1CYP11B1CYP11B2ALDH1A1GAA
Hydrochloric Acid SCHEMBL9836713 0.74 TBXAS1 (0.98) TBXAS1CYP11B1CYP11B2ALDH1A1GAA
SCHEMBL9834596 0.73 TBXAS1 (1.00) TBXAS1CYP11B1CYP11B2ALDH1A1GAA
SCHEMBL9835706 0.73 TBXAS1 (0.72) TBXAS1CYP11B1CYP11B2ALDH1A1GAA
Imitrodast SCHEMBL166460 0.72 TBXAS1 (1.00) TBXAS1
Hydrochloric Acid SCHEMBL9836537 0.72 TBXAS1 (0.98) TBXAS1CYP11B1CYP11B2ALDH1A1GAA
Imitrodast SCHEMBL99497 0.71 TBXAS1 (0.98) TBXAS1
SCHEMBL9837500 0.71 TBXAS1 (0.80) TBXAS1CYP11B1CYP11B2ALDH1A1GAA

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