SCHEMBL9671858

SCHEMBL9671858

O=C1NC(=O)C2(N1)c1cc([N+](=O)[O-])ccc1-c1ncccc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ AKR1B1 P15121 9/20 0.43
▸ AKR1A1 P14550 7/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ GSK3B P49841 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP2 O95551 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CRBN Q96SW2 1/20 0.38

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
SCHEMBL9811098 0.84 AKR1B1 (0.58) TDP1AKR1B1AKR1A1ITGA4TDP2
SCHEMBL9810966 0.83 ITGA4 (0.65) TDP1AKR1B1AKR1A1ITGA4TDP2
SCHEMBL9672105 0.81 AKR1A1 (0.68) AKR1B1AKR1A1ITGA4
SCHEMBL10907091 0.81 AKR1B1 (0.68) AKR1B1AKR1A1ITGA4
SCHEMBL9671558 0.81 AKR1B1 (0.59) AKR1B1AKR1A1ITGA4
SCHEMBL9671809 0.80 ITGA4 (0.68) TDP1MAPTAKR1B1AKR1A1ITGA4
SCHEMBL25063677 0.69 AKR1A1 (0.43) MAPTAKR1B1AKR1A1ITGA4
SCHEMBL25063575 0.67 ITGA4 (0.58) AKR1B1AKR1A1ITGA4TDP2
SCHEMBL8343435 0.66 TDP1 (1.00) TDP1MAPTL3MBTL1MAPK1TDP2
SCHEMBL9055622 0.66 TDP1 (0.78) TDP1MAPTL3MBTL1MAPK1TDP2

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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