SCHEMBL10832012

SCHEMBL10832012

O=C1NC(=O)C2(CCOc3ccc(Cl)cc32)S1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 3/20 0.41
▸ AKR1B1 P15121 2/20 0.40
▸ AKR1B10 O60218 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ AKR1A1 P14550 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
SCHEMBL10830892 0.86 AKR1B1 (0.38) MAP3K14AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL10830905 0.85 AKR1B1 (0.56) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL10921763 0.73 AKR1B1 (0.71) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL10923913 0.73 AKR1B1 (0.71) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL10975805 0.72 AKR1B1 (0.40) MAP3K14AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL11355290 0.72 AKR1B10 (0.39) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL11146543 0.72 AKR1B10 (0.45) MAP3K14AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL10831348 0.72 AKR1B1 (0.54) AKR1B1AKR1B10MAPTAKR1A1
Hydrochloric Acid SCHEMBL10831108 0.71 AKR1B1 (0.53) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL18211725 0.71 MAP3K14 (0.50) MAP3K14AKR1B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129747-A2 Thiazolidine derivatives, their preparation and intermediates therefor, and pharmaceutical preparations F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-01-02 — — EP claimed
US-4587256-A ANTIDIABETIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1986-05-06 — — US disclosed
EP-0129747-A2 Thiazolidine derivatives, their preparation and intermediates therefor, and pharmaceutical preparations F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-01-02 — — EP disclosed
Send feedback