SCHEMBL9811052

SCHEMBL9811052

Nc1ccc2c(c1)C1(NC(=O)NC1=O)c1ccccc1-2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.73
AKR1A1 P14550 14/20 0.69
AKR1B1 P15121 14/20 0.69
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CACNA1F O60840 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
SCN1A P35498 1/20 0.45
SCN4A P35499 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
CACNA1D Q01668 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45

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
SCHEMBL9811003 0.92 AKR1A1 (0.65) ITGA4AKR1A1AKR1B1CRHBPCRHR2
SCHEMBL9810959 0.85 ITGA4 (1.00) ITGA4AKR1A1AKR1B1CRHBPCRHR2
SCHEMBL31195728 0.85 ITGA4 (1.00) ITGA4AKR1A1AKR1B1CRHBPCRHR2
SCHEMBL10930167 0.82 AKR1A1 (1.00) ITGA4AKR1A1AKR1B1CRHBPCRHR2
SCHEMBL21095641 0.82 ITGA4 (0.73) ITGA4AKR1A1AKR1B1CRHBPCRHR2
Alconil SCHEMBL1201487 0.82 AKR1A1 (0.85) ITGA4AKR1A1AKR1B1
SCHEMBL9810970 0.82 ITGA4 (0.73) ITGA4AKR1A1AKR1B1CRHBPCRHR2
SCHEMBL21095561 0.82 ITGA4 (0.73) ITGA4AKR1A1AKR1B1CRHBPCRHR2
SCHEMBL9811062 0.82 ITGA4 (0.73) ITGA4AKR1A1AKR1B1CRHBPCRHR2
Alconil SCHEMBL30661866 0.82 AKR1A1 (0.85) ITGA4AKR1A1AKR1B1

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