SCHEMBL29895409

SCHEMBL29895409

CC(C)c1nn(Cc2ccc(Br)cc2F)c(=O)c(C(=O)NCC(=O)O)c1O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.51
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
EGLN1 Q9GZT9 4/20 0.48
EGLN3 Q9H6Z9 5/20 0.45
EGLN2 Q96KS0 3/20 0.45
MAPT P10636 1/20 0.40
HIF1A Q16665 2/20 0.39
NLRP3 Q96P20 1/20 0.38

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
SCHEMBL3852035 1.00 AKR1B1 (0.51) AKR1B1MEN1CYP1A2CYP2C9KMT2A
SCHEMBL29895408 1.00 AKR1B1 (0.51) AKR1B1MEN1CYP1A2CYP2C9KMT2A
SCHEMBL3852224 0.91 EGLN3 (0.54) AKR1B1EGLN1EGLN3EGLN2HIF1A
SCHEMBL3853117 0.89 EGLN3 (0.49) EGLN1EGLN3EGLN2HIF1A
SCHEMBL3852065 0.87 EGLN1 (0.43) AKR1B1MEN1CYP1A2CYP2C9KMT2A
SCHEMBL3847326 0.87 EGLN1 (0.47) AKR1B1EGLN1EGLN3EGLN2HIF1A
SCHEMBL3847949 0.87 EGLN3 (0.45) EGLN1EGLN3EGLN2NLRP3
SCHEMBL3846893 0.87 EGLN1 (0.46) MEN1KMT2AEGLN1EGLN3EGLN2
SCHEMBL3850302 0.86 EGLN1 (0.42) AKR1B1HSD17B10EGLN1EGLN3EGLN2
SCHEMBL3846798 0.86 EGLN1 (0.42) AKR1B1EGLN1EGLN3EGLN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022179967-A1 VADADUSTAT FOR TREATING COVID-19 IN A HOSPITALIZED SUBJECT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2022-09-01 WO disclosed