SCHEMBL23850126

SCHEMBL23850126

CCOC(=O)Cc1cccc(C(S)c2nc(-c3cccs3)c(C#N)c(=O)[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 8/20 0.52
RXFP1 Q9HBX9 7/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
NPSR1 Q6W5P4 6/20 0.47
PRNP P04156 5/20 0.47
MAPT P10636 5/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP2C19 P33261 2/20 0.44
HPGD P15428 2/20 0.44
PSMD14 O00487 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
SERPINH1 P50454 1/20 0.44
PKM P14618 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL24088170 0.82 ACMSD (0.55) ACMSDRXFP1MEN1KMT2ANPSR1
SCHEMBL23850128 0.82 ACMSD (0.78) ACMSDRXFP1MEN1KMT2ANPSR1
SCHEMBL23849994 0.81 ACMSD (0.61) ACMSDRXFP1MEN1KMT2ANPSR1
SCHEMBL23853860 0.80 MAPT (0.41) ACMSDRXFP1MEN1KMT2ANPSR1
SCHEMBL23849891 0.80 ACMSD (0.51) ACMSDRXFP1MEN1KMT2ANPSR1
SCHEMBL23853748 0.76 PRNP (0.48) ACMSDRXFP1MEN1KMT2ANPSR1
SCHEMBL23853864 0.76 ALDH1A1 (0.42) ACMSDRXFP1MEN1KMT2ANPSR1
SCHEMBL24088169 0.72 ACMSD (0.58) ACMSDRXFP1MEN1KMT2ANPSR1
SCHEMBL24087878 0.69 ACMSD (0.70) ACMSDRXFP1MEN1KMT2ANPSR1
SCHEMBL24088115 0.69 PRNP (0.67) ACMSDRXFP1MEN1KMT2ANPSR1

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