SCHEMBL9672965

SCHEMBL9672965

O=C1CC2(C(=O)N1)c1cnccc1-c1ccc(F)cc12

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 8/20 0.56
▸ AKR1A1 P14550 4/20 0.44
▸ AKR1B10 O60218 1/20 0.44
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C19 P33261 1/20 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
SCHEMBL9672018 0.87 AKR1B1 (0.69) AKR1B1AKR1A1AKR1B10CYP1A2MAPT
SCHEMBL9671705 0.81 AKR1B1 (0.61) AKR1B1AKR1A1AKR1B10
SCHEMBL10929003 0.80 AKR1B1 (0.60) AKR1B1AKR1A1AKR1B10CYP1A2MAPT
SCHEMBL10345515 0.78 AKR1B1 (0.55) AKR1B1AKR1A1AKR1B10GSK3AGSK3B
SCHEMBL21844215 0.76 AKR1B1 (0.62) AKR1B1AKR1A1AKR1B10
SCHEMBL10929989 0.76 AKR1B1 (0.56) AKR1B1AKR1A1AKR1B10CYP1A2MAPT
SCHEMBL9673456 0.75 AKR1B1 (0.57) AKR1B1AKR1A1AKR1B10CYP1A2MAPT
SCHEMBL10930198 0.73 AKR1B1 (0.55) AKR1B1AKR1A1AKR1B10
SCHEMBL9672056 0.72 AKR1A1 (0.76) AKR1B1AKR1A1
SCHEMBL10975155 0.72 AKR1B1 (0.51) AKR1B1AKR1A1AKR1B10MAPT

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
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
EP-0137333-A2 Spiro-tricyclicaromatic succinimide derivatives as inhibitors of aldose reductase ALCON LABORATORIES, INC. (US) 1985-04-17 — — EP disclosed
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