SCHEMBL9671764

SCHEMBL9671764

O=C1NC(=O)C2(S1)c1cc(Cl)ccc1-c1ccsc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 6/20 0.41
▸ AKR1A1 P14550 2/20 0.41
▸ CES1 P23141 1/20 0.36
▸ PPOX P50336 1/20 0.35
▸ PDK2 Q15119 1/20 0.33
▸ CMA1 P23946 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ S100A4 P26447 1/20 0.31
▸ ADAMTS5 Q9UNA0 1/20 0.31

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
SCHEMBL9672482 0.84 AKR1B1 (0.41) AKR1B1AKR1A1
SCHEMBL10931287 0.81 AKR1B1 (0.38) AKR1B1AKR1A1CES1PPOXCMA1
SCHEMBL9673138 0.67 AKR1B1 (0.50) AKR1B1AKR1A1
SCHEMBL9672313 0.65 AKR1B1 (0.38) AKR1B1AKR1A1
SCHEMBL9673448 0.62 ITGA4 (0.44) AKR1B1AKR1A1PDK2S100A4
SCHEMBL10832012 0.60 MAP3K14 (0.41) AKR1B1AKR1A1
SCHEMBL9674044 0.59 AKR1B1 (0.38) AKR1B1AKR1A1CES1PPOXCMA1
SCHEMBL9672798 0.59 AKR1B1 (0.71) AKR1B1AKR1A1PPOX
SCHEMBL11001789 0.59 AKR1B1 (1.00) AKR1B1AKR1A1PPOX
SCHEMBL9672186 0.59 AKR1B1 (0.56) AKR1B1AKR1A1PPOXCMA1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0137333-B1 SPIRO-TRICYCLICAROMATIC SUCCINIMIDE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE ALCON LABORATORIES, INC. (US) 1992-12-30 — — EP disclosed
US-5153211-A Enzyme inhibitors ALCON LABORATORIES, INC. (US) 1992-10-06 — — US disclosed
US-5070100-A COMPLICATIONS OF DIABETES ALCON LABORATORIES, INC. (US) 1991-12-03 — — US disclosed
US-4864028-A ANTIDIABETIC AGENTS ALCON LABORATORIES, INC. (US) 1989-09-05 — — US disclosed
US-4717725-A SPIROCYCLIC AROMATIC IMIDES ALCON LABORATORIES, INC. (US) 1988-01-05 — — US disclosed
US-4537892-A ANTIDIABETIC AGENTS ALCON LABORATORIES, INC. (US) 1985-08-27 — — US disclosed
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