SCHEMBL22650327

SCHEMBL22650327

Cc1ccc(C#Cc2ccc(NS(C)(=O)=O)c(C(=O)O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.50
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HNF4A P41235 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SLC7A11 Q9UPY5 2/20 0.42
NEU3 Q9UQ49 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MMP9 P14780 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
MCL1 Q07820 2/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL222213 0.84 METAP2 (0.68) METAP2CYP1A2CYP2C9ALDH1A1HPGD
SCHEMBL4578324 0.77 HNF4A (0.54) HNF4AALDH1A1AKR1C3AKR1C2MCL1
SCHEMBL22650200 0.77 MEN1 (0.47) HNF4AALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL23200283 0.75 METAP2 (0.67) METAP2CYP1A2CYP2C9HTTTDP1
SCHEMBL7556102 0.74 ACLY (0.62) METAP2CYP2C9ALDH1A1HPGDHSD17B10
SCHEMBL30100431 0.73 ACLY (0.66) METAP2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL221627 0.73 KMT2A (0.49) METAP2CYP2C9ALDH1A1HPGDHSD17B10
SCHEMBL219920 0.73 ACLY (0.66) METAP2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL31046886 0.73 METAP2 (0.53) METAP2ALDH1A1KDM4ENEU3KMT2A
SCHEMBL221687 0.73 METAP2 (0.53) METAP2ALDH1A1KDM4ENEU3KMT2A

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-2020225330-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS UNIVERSITÄT HAMBURG (DE) 2020-11-12 WO disclosed