SCHEMBL9673448

SCHEMBL9673448

O=C1NC(=O)C2(S1)c1ccccc1-c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ S100A4 P26447 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RUNX1 Q01196 1/20 0.35
▸ CBFB Q13951 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ AKR1A1 P14550 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ PDK2 Q15119 1/20 0.34

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
SCHEMBL9673401 0.82 PDK2 (0.43) TDP1THRBS100A4KMT2AALDH1A1
SCHEMBL7154238 0.75 KMT2A (0.50) TDP1THRBKMT2AALDH1A1MEN1
SCHEMBL9810959 0.61 ITGA4 (1.00) ITGA4TDP1ALDH1A1GAAMAPT
SCHEMBL31195728 0.61 ITGA4 (1.00) ITGA4TDP1ALDH1A1GAAMAPT
SCHEMBL14580998 0.61 ITGA4 (0.55) ITGA4TDP1THRBS100A4GSK3B
SCHEMBL9673557 0.60 AKR1B1 (0.45) ITGA4AKR1B1
SCHEMBL9671768 0.60 CFTR (0.48) ITGA4TDP1S100A4GSK3BKMT2A
SCHEMBL16626076 0.60 PDK2 (0.44) ITGA4TDP1THRBS100A4GSK3B
SCHEMBL31598409 0.60 S100A4 (0.58) ITGA4TDP1THRBS100A4GSK3B
SCHEMBL357510 0.60 MEN1 (0.55) ITGA4TDP1THRBS100A4GSK3B

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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