SCHEMBL9811003

SCHEMBL9811003

Nc1ccc2c(c1)C1(NC(=O)NC1=O)c1cc(N)ccc1-2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1A1 P14550 16/20 0.65
▸ AKR1B1 P15121 16/20 0.65
▸ ITGA4 P13612 1/20 0.58
▸ CACNA1F O60840 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ SCN1A P35498 1/20 0.43
▸ SCN4A P35499 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ CACNA1D Q01668 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CACNA1S Q13698 1/20 0.43
▸ CACNA1C Q13936 1/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ SCN2A Q99250 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43

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
SCHEMBL9811052 0.92 ITGA4 (0.73) AKR1A1AKR1B1ITGA4CACNA1FALDH1A1
SCHEMBL22380780 0.79 AKR1B1 (0.65) AKR1A1AKR1B1ITGA4CACNA1FALDH1A1
Imirestat SCHEMBL30924520 0.79 AKR1A1 (1.00) AKR1A1AKR1B1ITGA4
SCHEMBL11001789 0.79 AKR1B1 (1.00) AKR1A1AKR1B1ITGA4
Imirestat SCHEMBL49034 0.79 AKR1A1 (1.00) AKR1A1AKR1B1ITGA4
SCHEMBL9810972 0.79 AKR1B1 (0.82) AKR1A1AKR1B1ITGA4CACNA1FALDH1A1
SCHEMBL10371361 0.77 ITGA4 (0.43) AKR1A1AKR1B1ITGA4CACNA1FALDH1A1
SCHEMBL9810984 0.77 AKR1A1 (0.88) AKR1A1AKR1B1ITGA4
SCHEMBL21095587 0.75 AKR1A1 (0.59) AKR1A1AKR1B1ITGA4CACNA1FALDH1A1
SCHEMBL21095583 0.73 AKR1A1 (0.86) AKR1A1AKR1B1ITGA4CACNA1FALDH1A1

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-0092385-B1 HYDANTOIN DERIVATIVES FOR USE IN INHIBITING ALDOSE REDUCTASE ACTIVITY, COMPOSITIONS THEREFOR AND PROCESS FOR PREPARING SPIRO-FLUOREN COMPOUNDS ALCON LABORATORIES, INC. (US) 1991-06-12 — — EP disclosed
US-4540700-A Treatment of diabetic complications with certain spiro-imidazolidine-diones ALCON LABORATORIES, INC. (US) 1985-09-10 — — US disclosed
US-4436745-A TETRACYCLIC SPIROHYDANTOINS ALCON LABORATORIES, INC. (US) 1984-03-13 — — US disclosed
WO-1983003543-A1 METHOD OF INHIBITING ALDOSE REDUCTASE ACTIVITY, COMPOSITIONS THEREFOR AND PROCESS FOR PREPARING SPIRO-FLUOROFLUOREN AND SPIRO-DIFLUOROFLUOREN COMPOUNDS ALCON LAB INC (US) 1983-10-27 — — WO disclosed
EP-0092385-A2 Hydantoin derivatives for use in inhibiting aldose reductase activity, compositions therefor and process for preparing spiro-fluoren compounds ALCON LABORATORIES, INC. (US) 1983-10-26 — — EP disclosed
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