SCHEMBL9671558

SCHEMBL9671558

O=C1NC(=O)C2(N1)c1cc(Br)ccc1-c1ncccc12

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 12/20 0.59
▸ AKR1A1 P14550 10/20 0.59
▸ ITGA4 P13612 1/20 0.47
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ CDC25B P30305 1/20 0.37

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
SCHEMBL10907091 0.85 AKR1B1 (0.68) AKR1B1AKR1A1ITGA4CRHBPCRHR2
SCHEMBL9672105 0.85 AKR1A1 (0.68) AKR1B1AKR1A1ITGA4
SCHEMBL9671809 0.84 ITGA4 (0.68) AKR1B1AKR1A1ITGA4CRHBPCRHR2
SCHEMBL9810972 0.82 AKR1B1 (0.82) AKR1B1AKR1A1ITGA4
SCHEMBL9810970 0.81 ITGA4 (0.73) AKR1B1AKR1A1ITGA4CRHBPCRHR2
SCHEMBL9671858 0.81 TDP1 (0.49) AKR1B1AKR1A1ITGA4
SCHEMBL25892565 0.74 AKR1B1 (0.70) AKR1B1AKR1A1ITGA4
SCHEMBL20845832 0.74 AKR1A1 (1.00) AKR1B1AKR1A1ITGA4
SCHEMBL25063677 0.73 AKR1A1 (0.43) AKR1B1AKR1A1ITGA4CRHBPCRHR2
SCHEMBL2515713 0.72 PDK2 (0.43) CDC25B

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 7 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
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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