SCHEMBL9489502

SCHEMBL9489502

COc1ccc2c(CBr)c(F)ccc2c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.40
AKR1A1 P14550 1/20 0.40
AKR1B1 P15121 1/20 0.40
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 4/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTPN7 P35236 1/20 0.30
DUSP3 P51452 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
SCHEMBL9491116 0.86 AKR1B10 (0.39) AKR1B10AKR1A1AKR1B1ALDH1A1HPGD
SCHEMBL9490629 0.85 AKR1B10 (0.41) AKR1B10AKR1A1AKR1B1CYP2C19CYP2C9
SCHEMBL9489296 0.84 AKR1B10 (0.43) AKR1B10AKR1A1AKR1B1CYP2C9ALDH1A1
SCHEMBL9007508 0.77 AKR1B10 (0.47) AKR1B10AKR1A1AKR1B1CYP2C9ALDH1A1
SCHEMBL9491139 0.77 AKR1B10 (0.40) AKR1B10AKR1A1AKR1B1CYP2C9ALDH1A1
SCHEMBL9491008 0.76 AKR1B10 (0.41) AKR1B10AKR1A1AKR1B1CYP2C9ALDH1A1
SCHEMBL31719426 0.74 HTR2A (0.41) HTR2AHTR2CHTR2B
SCHEMBL12802009 0.74 HTR2A (0.41) HTR2AHTR2CHTR2B
SCHEMBL22331174 0.73 HTR2A (0.37) HTR2AHTR2CHTR2B
SCHEMBL30662729 0.73 HTR2A (0.37) HTR2AHTR2CHTR2B

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-0322255-B1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-03-24 EP disclosed
EP-0322256-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
WO-1989005793-A1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-29 WO disclosed
EP-0322255-A1 N-acyl-N-naphthoylglycines as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-28 EP disclosed
EP-0322256-A1 N-acyl-N-naphthoylglycines as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-28 EP disclosed
US-4820727-A TREATING DIABETIC COMPLICATIONS-VISION DEFECTS, KIDNEY AND NERVOUS SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-11 US disclosed