SCHEMBL9490629

SCHEMBL9490629

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.41
AKR1A1 P14550 1/20 0.41
AKR1B1 P15121 1/20 0.41
RORC P51449 1/20 0.38
PDE5A O76074 1/20 0.33
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 4/20 0.33
NR3C1 P04150 2/20 0.32
NR3C2 P08235 2/20 0.32
NOTUM Q6P988 1/20 0.32
MAPT P10636 3/20 0.32
CYP2C9 P11712 3/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL9490571 0.85 AKR1B10 (0.41) AKR1B10AKR1A1AKR1B1RORCPDE5A
SCHEMBL9489502 0.85 AKR1B10 (0.40) AKR1B10AKR1A1AKR1B1HTR2AHTR2C
SCHEMBL9491116 0.84 AKR1B10 (0.39) AKR1B10AKR1A1AKR1B1ALDH1A1POLB
SCHEMBL9490502 0.78 AKR1B10 (0.39) AKR1B10AKR1A1AKR1B1RORCPDE5A
SCHEMBL9489560 0.75 ALDH1A1 (0.47) AKR1B10AKR1A1AKR1B1NOTUMMAPT
SCHEMBL9007508 0.75 AKR1B10 (0.47) AKR1B10AKR1A1AKR1B1NR3C1NR3C2
SCHEMBL9491008 0.73 AKR1B10 (0.41) AKR1B10AKR1A1AKR1B1PDE5ANOTUM
SCHEMBL9489296 0.73 AKR1B10 (0.43) AKR1B10AKR1A1AKR1B1PDE5ACYP2C9
SCHEMBL2991308 0.72 HTR2A (0.42) RORCHTR2AHTR2CHTR2BMAPT
SCHEMBL23847943 0.71 HTR2C (0.38) HTR2AHTR2CHTR2BMAPTCYP2C9

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-0322256-B1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-03-24 EP disclosed
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
WO-1989005793-A1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-29 WO disclosed
EP-0322256-A1 N-acyl-N-naphthoylglycines as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-28 EP disclosed
EP-0322255-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