SCHEMBL9685013

SCHEMBL9685013

O=C(O)CC1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2ccc(F)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 1.00
AKR1B10 O60218 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM5 P08912 1/20 0.42
GRM5 P41594 1/20 0.39
TBXA2R P21731 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL9684857 0.88 AKR1B1 (0.79) AKR1B1CHRM5MEN1CYP1A2CYP2C9
SCHEMBL9872084 0.88 AKR1B1 (0.79) AKR1B1AKR1B10AKR1A1CHRM5GRM5
SCHEMBL9870040 0.85 AKR1B1 (0.73) AKR1B1AKR1B10AKR1A1CHRM5GRM5
SCHEMBL8320456 0.80 AKR1B1 (0.66) AKR1B1AKR1B10AKR1A1CHRM5GRM5
SCHEMBL9535759 0.75 AKR1B1 (0.60) AKR1B1AKR1B10AKR1A1CHRM5MEN1
SCHEMBL9034547 0.72 AKR1B1 (0.56) AKR1B1AKR1B10AKR1A1CHRM5TBXA2R
SCHEMBL9036585 0.72 AKR1B1 (0.56) AKR1B1AKR1B10AKR1A1CHRM5TBXA2R
SCHEMBL9685018 0.71 AKR1B1 (0.55) AKR1B1MEN1KMT2A
SCHEMBL10431907 0.71 AKR1B1 (0.54) AKR1B1AKR1B10AKR1A1MEN1KMT2A
SCHEMBL9383937 0.71 AKR1B1 (0.54) AKR1B1CHRM5MEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4983613-A Acetamides; treatment of neuropathy, nephropathy, retinopathy or cataracts in diabetic mammals AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-08 US claimed
US-5130425-A Antidiabetic agents spiro azetidine-2,4'(1'H)-isoquinoline! 1',3',4(2'H)-triones AMERICAN HOME PRODUCTS CORPORATION (US) 1992-07-14 US disclosed
US-4983613-A Acetamides; treatment of neuropathy, nephropathy, retinopathy or cataracts in diabetic mammals AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-08 US disclosed