SCHEMBL8802491

SCHEMBL8802491

O=C1c2ccccc2C2(CC(=O)N(N=C3CCOCC3)C2=O)C(=O)N1Cc1nc2cc(C(F)(F)F)ccc2s1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 14/20 0.54
▸ AKR1A1 P14550 2/20 0.39
▸ AKR1B10 O60218 1/20 0.39
▸ GLO1 Q04760 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
SCHEMBL8803129 0.93 AKR1B1 (0.56) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL8803653 0.85 AKR1B1 (0.58) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL9378243 0.85 AKR1B1 (0.58) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL9589559 0.84 AKR1B1 (0.55) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL9777761 0.83 AKR1B1 (0.61) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL8802086 0.83 AKR1B1 (0.61) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL8803259 0.79 AKR1B1 (0.81) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL8802350 0.79 AKR1B1 (0.56) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL8803055 0.74 AKR1B1 (0.75) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL9777777 0.74 AKR1B1 (0.75) AKR1B1AKR1A1AKR1B10GLO1

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-0618917-B1 1'-AMINO-2- (BENZOTHIAZOLYL)METHYL]SPIRO ISOQUINOLINE-4(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONES AND ANALOGS THEREOF USEFUL AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PROD (US) 1997-03-26 — — EP claimed
US-5189167-A Useful for prevention or treatment of diabetes mellitus associated complications AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-23 — — US claimed
EP-0618917-B1 1'-AMINO-2- (BENZOTHIAZOLYL)METHYL]SPIRO ISOQUINOLINE-4(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONES AND ANALOGS THEREOF USEFUL AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PROD (US) 1997-03-26 — — EP disclosed
EP-0618917-A1 1'-AMINO-2- (BENZOTHIAZOLYL)METHYL]SPIRO ISOQUINOLINE-4(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONES AND ANALOGS THEREOF USEFUL AS ALDOSE REDUCTASE INHIBITORS. AMERICAN HOME PROD (US) 1994-10-12 — — EP disclosed
WO-1993011126-A1 1'-AMINO-2-[(BENZOTHIAZOLYL)METHYL]SPIRO [ISOQUINOLINE-4(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONES AND ANALOGS THEREOF USEFUL AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-10 — — WO disclosed
US-5189167-A Useful for prevention or treatment of diabetes mellitus associated complications AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-23 — — US disclosed
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