SCHEMBL23853864

SCHEMBL23853864

CCOC(=O)Cc1cccc(C(C)Sc2nc(=O)c(C#N)c(-c3cccs3)[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
MAPT P10636 7/20 0.42
KDM4E B2RXH2 6/20 0.42
HPGD P15428 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACMSD Q8TDX5 3/20 0.42
NPSR1 Q6W5P4 7/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
RXFP1 Q9HBX9 7/20 0.41
TSHR P16473 3/20 0.41
PRNP P04156 2/20 0.38
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37

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
SCHEMBL24088169 0.85 ACMSD (0.58) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL23850126 0.76 ACMSD (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL23853860 0.75 MAPT (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL23850128 0.73 ACMSD (0.78) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL23853862 0.70 ACMSD (0.47) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL24088170 0.70 ACMSD (0.55) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL27629133 0.64 L3MBTL1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL1691249 0.64 L3MBTL1 (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL27848979 0.63 F10 (0.42) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL27484846 0.62 HDAC1 (0.50) ALDH1A1MEN1KMT2AMAPTKDM4E

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
EP-3883930-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE Tes Pharma S.r.l. (IT) 2021-09-29 EP disclosed