SCHEMBL23853860

SCHEMBL23853860

CCOC(=O)Cc1cccc(C(S)c2nc(=O)c(C#N)c(-c3cccs3)n2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPSR1 Q6W5P4 4/20 0.41
TSHR P16473 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
ACMSD Q8TDX5 2/20 0.36
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL23853862 0.81 ACMSD (0.47) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL23850126 0.80 ACMSD (0.52) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL23853864 0.75 ALDH1A1 (0.42) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL24088169 0.70 ACMSD (0.58) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL24088170 0.68 ACMSD (0.55) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL23850128 0.67 ACMSD (0.78) MAPTMEN1KMT2ANPSR1RXFP1
SCHEMBL27484846 0.63 HDAC1 (0.50) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL2082661 0.63 MAPK14 (0.47) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL1691249 0.63 L3MBTL1 (0.43) MAPTMEN1KMT2ATSHRALDH1A1
SCHEMBL30088453 0.62 PDCD1 (0.54) RXFP1LMNAALOX15GLAPOLB

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