SCHEMBL9490610

SCHEMBL9490610

COc1ccc2c(C(N)=O)c(Br)ccc2c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.42
AKR1A1 P14550 1/20 0.42
AKR1B1 P15121 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.36
APOBEC3A P31941 1/20 0.36
HTT P42858 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PDE4B Q07343 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NOTUM Q6P988 1/20 0.35
SOS1 Q07889 1/20 0.35
PDE11A Q9HCR9 1/20 0.34

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
SCHEMBL9490331 0.87 AKR1B10 (0.46) AKR1B10AKR1A1AKR1B1L3MBTL1KDM4E
SCHEMBL9490565 0.82 AKR1B10 (0.42) AKR1B10AKR1A1AKR1B1L3MBTL1HTT
SCHEMBL9491641 0.78 AKR1B10 (0.59) AKR1B10AKR1A1AKR1B1L3MBTL1POLB
SCHEMBL9490510 0.77 AKR1B10 (0.41) AKR1B10AKR1A1AKR1B1L3MBTL1KDM4E
SCHEMBL9491074 0.76 AKR1B10 (0.39) AKR1B10AKR1A1AKR1B1L3MBTL1KDM4E
SCHEMBL10415791 0.76 AKR1B10 (0.60) AKR1B10AKR1A1AKR1B1KDM4EHTT
SCHEMBL9490146 0.75 AKR1B10 (0.47) AKR1B10AKR1A1AKR1B1L3MBTL1KDM4E
SCHEMBL9489025 0.75 AKR1B10 (0.48) AKR1B10AKR1A1AKR1B1L3MBTL1POLB
SCHEMBL9491008 0.74 AKR1B10 (0.41) AKR1B10AKR1A1AKR1B1L3MBTL1POLB
SCHEMBL2172500 0.74 ERN1 (0.54) L3MBTL1KDM4EPOLBCTDSP1TDP1

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-0322256-B1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-03-24 EP 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
US-4820727-A TREATING DIABETIC COMPLICATIONS-VISION DEFECTS, KIDNEY AND NERVOUS SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-11 US disclosed