SCHEMBL22650200

SCHEMBL22650200

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GFER P55789 2/20 0.44
HNF4A P41235 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ABCC1 P33527 1/20 0.41
MMP9 P14780 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
ACACB O00763 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.38
FFAR1 O14842 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL22636372 0.81 PLK1 (0.53) PPARGPPARA
SCHEMBL22650327 0.77 METAP2 (0.50) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL4578324 0.76 HNF4A (0.54) ALDH1A1HNF4AAKR1C3AKR1C2FFAR1
SCHEMBL14383904 0.74 GAA (0.45) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL3825804 0.74 KDM4E (0.69) MEN1KMT2AALDH1A1L3MBTL1PPARG
SCHEMBL4606051 0.71 HNF4A (0.54) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL14254798 0.70 MEN1 (0.62) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL4839372 0.69 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL1743408 0.69 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL7230992 0.67 KDM4E (0.51) MEN1KMT2AGAAKDM4EMDM4

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