SCHEMBL9672186

SCHEMBL9672186

O=C1CC2(C(=O)N1)c1cc(Cl)ccc1-c1sccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.56
▸ AKR1A1 P14550 2/20 0.38
▸ PPOX P50336 1/20 0.37
▸ CMA1 P23946 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ CCNB2 O95067 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ CCNB3 Q8WWL7 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ TDP2 O95551 2/20 0.36

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
SCHEMBL10345954 0.73 AKR1B1 (0.55) AKR1B1AKR1A1CCNB2CDK1CCNB1
SCHEMBL8804611 0.72 AKR1B1 (1.00) AKR1B1AKR1A1
SCHEMBL9674044 0.72 AKR1B1 (0.38) AKR1B1AKR1A1PPOXCMA1AHR
SCHEMBL10931287 0.72 AKR1B1 (0.38) AKR1B1AKR1A1PPOXCMA1AHR
SCHEMBL9672798 0.72 AKR1B1 (0.71) AKR1B1AKR1A1PPOX
SCHEMBL2483457 0.71 AKR1B1 (0.56) AKR1B1CMA1AHR
SCHEMBL10930896 0.71 AKR1B1 (0.56) AKR1B1AKR1A1CRBN
SCHEMBL20850099 0.69 CASP3 (0.37) AKR1B1AKR1A1PPOX
SCHEMBL2484250 0.68 AKR1B1 (0.52) AKR1B1CMA1AHR
SCHEMBL9673456 0.67 AKR1B1 (0.57) AKR1B1AKR1A1

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 5 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-4537892-A ANTIDIABETIC AGENTS ALCON LABORATORIES, INC. (US) 1985-08-27 — — US disclosed
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