SCHEMBL9489273

SCHEMBL9489273

COc1ccc2c(C)c([N+](=O)[O-])ccc2c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 6/20 0.41
LMNA P02545 6/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
AKR1B10 O60218 1/20 0.38
AKR1A1 P14550 1/20 0.38
AKR1B1 P15121 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL30152985 0.78 TDP1 (0.45) ALDH1A1TDP1MAPTLMNAKDM4E
SCHEMBL9491074 0.77 AKR1B10 (0.39) ALDH1A1LMNAKDM4EAKR1B10AKR1A1
SCHEMBL9491139 0.77 AKR1B10 (0.40) ALDH1A1LMNAKDM4ECYP2C9AKR1B10
SCHEMBL31503937 0.75 TDP1 (0.45) ALDH1A1TDP1MAPTLMNAKDM4E
SCHEMBL4466194 0.74 ALDH1A1 (0.55) ALDH1A1TDP1MAPTLMNAKDM4E
SCHEMBL31077739 0.74 ALDH1A1 (0.55) ALDH1A1TDP1MAPTLMNAKDM4E
SCHEMBL9488948 0.74 IDO1 (0.41) ALDH1A1TDP1MAPTLMNAMEN1
SCHEMBL9490502 0.74 AKR1B10 (0.39) ALDH1A1MAPTLMNAMEN1ALOX12
SCHEMBL633461 0.73 ALDH1A1 (0.50) ALDH1A1TDP1MAPTLMNAKDM4E
SCHEMBL8205960 0.73 TDP1 (0.53) ALDH1A1TDP1MAPTLMNAKDM4E

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-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
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