SCHEMBL10677181

SCHEMBL10677181

COc1ccc2c(N)cccc2c1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
EP300 Q09472 1/20 0.51
KAT8 Q9H7Z6 1/20 0.51
AKR1B10 O60218 1/20 0.47
AKR1A1 P14550 1/20 0.47
AKR1B1 P15121 1/20 0.47
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 3/20 0.46
ADRA2B P18089 1/20 0.46
PTGS1 P23219 1/20 0.46
CYP3A4 P08684 5/20 0.43
TSHR P16473 4/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9489666 0.81 AKR1B10 (0.48) IDO1EP300KAT8AKR1B10AKR1A1
SCHEMBL9437116 0.80 ALDH1A1 (0.54) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL9488948 0.80 IDO1 (0.41) IDO1EP300KAT8AKR1B10AKR1A1
SCHEMBL10415791 0.77 AKR1B10 (0.60) AKR1B10AKR1A1AKR1B1MAPTKDM4E
SCHEMBL11674477 0.77 IDO1 (0.62) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL7089895 0.76 AKR1B10 (0.62) AKR1B10AKR1A1AKR1B1HPGDMAPT
SCHEMBL9575279 0.76 IMPDH2 (0.57) AKR1B10AKR1A1AKR1B1ALDH1A1MAPT
SCHEMBL9007508 0.76 AKR1B10 (0.47) IDO1AKR1B10AKR1A1AKR1B1ALDH1A1
SCHEMBL7089898 0.76 AKR1B10 (0.47) AKR1B10AKR1A1AKR1B1ALDH1A1TDP1
SCHEMBL9575302 0.75 AKR1B10 (0.61) AKR1B10AKR1A1AKR1B1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4743611-A TREATMENT OF DIABETIC COMPLICATIONS AMERICAN HOME PRODUCTS CORP. (US) 1988-05-10 US disclosed
EP-0251784-A2 Naphthalenylsulfonylimidazolidinediones and their thioxo analogs AMERICAN HOME PRODUCTS CORPORATION (US) 1988-01-07 EP disclosed