SCHEMBL9490632

SCHEMBL9490632

COc1ccc2c(C(=S)N(C)CC(N)=O)c(F)ccc2c1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.58
AKR1A1 P14550 1/20 0.58
AKR1B1 P15121 1/20 0.58
GPBAR1 Q8TDU6 6/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
BACE1 P56817 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE11A Q9HCR9 1/20 0.30
PDE10A Q9Y233 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9489243 0.90 AKR1B10 (0.71) AKR1B10AKR1A1AKR1B1CYP2C9GAA
SCHEMBL9490493 0.89 AKR1B10 (0.49) AKR1B10AKR1A1AKR1B1GPBAR1HPGD
SCHEMBL9761952 0.83 AKR1B10 (0.82) AKR1B10AKR1A1AKR1B1ALDH1A1CYP2C9
SCHEMBL9490934 0.80 AKR1B10 (0.47) AKR1B10AKR1A1AKR1B1GAAKMT2A
SCHEMBL9490893 0.79 AKR1B10 (0.42) AKR1B10AKR1A1AKR1B1GPBAR1CYP2C9
SCHEMBL10531819 0.79 AKR1B10 (0.69) AKR1B10AKR1A1AKR1B1CYP2C9GAA
SCHEMBL9491277 0.79 AKR1B10 (0.69) AKR1B10AKR1A1AKR1B1ALDH1A1CYP2C9
SCHEMBL9489533 0.78 AKR1B10 (0.67) AKR1B10AKR1A1AKR1B1ALDH1A1CYP2C9
SCHEMBL9489565 0.78 AKR1B10 (0.67) AKR1B10AKR1A1AKR1B1ALDH1A1CYP2C9
SCHEMBL9489702 0.78 AKR1B10 (0.61) AKR1B10AKR1A1AKR1B1CYP2C9GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322255-B1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-03-24 EP claimed
WO-1989005791-A1 N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-29 WO claimed
EP-0322255-A1 N-acyl-N-naphthoylglycines as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-28 EP claimed
EP-0322255-B1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-03-24 EP disclosed
US-4962224-A TREATMENT OR PREVENTION OF DIABETES AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-09 US disclosed
EP-0322255-A1 N-acyl-N-naphthoylglycines as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-28 EP disclosed