SCHEMBL10488124

SCHEMBL10488124

COc1ccc2c(=O)n(Cc3ccc(Br)cc3F)c(=O)n(CC(=O)O)c2c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.74
AKR1A1 P14550 1/20 0.74
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
TRPA1 O75762 1/20 0.42
HPGD P15428 1/20 0.42
AKR1B10 O60218 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL10487930 0.92 AKR1B1 (0.65) AKR1B1AKR1A1TP53MAPTMEN1
SCHEMBL10487878 0.90 AKR1B1 (0.86) AKR1B1AKR1A1HDAC1HDAC8HDAC6
SCHEMBL10487843 0.89 AKR1A1 (0.58) AKR1B1AKR1A1HDAC1HDAC8HDAC6
SCHEMBL9319101 0.87 AKR1B1 (0.81) AKR1B1AKR1A1HDAC1HDAC8HDAC6
Zenarestat SCHEMBL48959 0.85 AKR1B1 (1.00) AKR1B1AKR1A1HDAC1HDAC8HDAC6
Zenarestat SCHEMBL30583313 0.85 AKR1B1 (1.00) AKR1B1AKR1A1HDAC1HDAC8HDAC6
Zenarestat SCHEMBL29688249 0.85 AKR1B1 (1.00) AKR1B1AKR1A1HDAC1HDAC8HDAC6
SCHEMBL10487869 0.85 AKR1B1 (0.78) AKR1B1AKR1A1HDAC1HDAC8HDAC6
SCHEMBL10487918 0.83 AKR1B1 (0.76) AKR1B1AKR1A1HDAC1HDAC8HDAC6
SCHEMBL10487848 0.83 AKR1B1 (0.75) AKR1B1AKR1A1HDAC1HDAC8HDAC6

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-4883800-A DIABETES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-11-28 US disclosed
US-4734419-A Quinazoline derivatives, compositions thereof and their use in treating diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 US disclosed
EP-0218999-A2 New quinazoline derivatives, process for their production and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-04-22 EP disclosed