SCHEMBL9810983

SCHEMBL9810983

Cc1cccc2c1C1(NC(=O)NC1=O)c1ccccc1-2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 1/20 0.70
▸ AKR1B1 P15121 11/20 0.55
▸ AKR1A1 P14550 8/20 0.55
▸ CRHBP P24387 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ CACNA1F O60840 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ SCN1A P35498 1/20 0.46
▸ SCN4A P35499 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ CACNA1D Q01668 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ CACNA1S Q13698 1/20 0.46
▸ CACNA1C Q13936 1/20 0.46
▸ SCN5A Q14524 1/20 0.46

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
SCHEMBL25892713 0.83 AKR1B1 (0.69) ITGA4AKR1B1AKR1A1CRHBPCRHR2
SCHEMBL9810959 0.83 ITGA4 (1.00) ITGA4AKR1B1AKR1A1CRHBPCRHR2
SCHEMBL31195728 0.83 ITGA4 (1.00) ITGA4AKR1B1AKR1A1CRHBPCRHR2
SCHEMBL3667326 0.81 AKR1B1 (0.71) ITGA4AKR1B1AKR1A1CRHBPCRHR2
SCHEMBL21844107 0.78 AKR1A1 (0.60) ITGA4AKR1B1AKR1A1CRHBPCRHR2
SCHEMBL25892679 0.77 ITGA4 (0.73) ITGA4AKR1B1AKR1A1CRHBPCRHR2
SCHEMBL21095641 0.77 ITGA4 (0.73) ITGA4AKR1B1AKR1A1CRHBPCRHR2
SCHEMBL22380689 0.74 ITGA4 (0.68) ITGA4AKR1B1AKR1A1CRHBPCRHR2
SCHEMBL23998302 0.74 AKR1A1 (0.62) ITGA4AKR1B1AKR1A1CRHBPCRHR2
SCHEMBL21095561 0.71 ITGA4 (0.73) ITGA4AKR1B1AKR1A1CRHBPCRHR2

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 4 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
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
Send feedback