SCHEMBL24313441

SCHEMBL24313441

CSc1ccc2c(c1)NCCS2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
NOX1 Q9Y5S8 1/20 0.45
RYR2 Q92736 2/20 0.38
KCNH2 Q12809 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM1 P11229 1/20 0.31
ALOX5 P09917 1/20 0.31
HTR7 P34969 1/20 0.30

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
SCHEMBL9636752 0.78 RYR2 (0.61) MEN1ALDH1A1GAAKMT2ANOX1
SCHEMBL10226479 0.77 GAA (0.53) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL23520056 0.74 KDM4E (0.44) MEN1ALDH1A1GAAKMT2ANOX1
SCHEMBL1816443 0.73 MEN1 (0.53) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL6204345 0.73 MEN1 (0.53) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL8038619 0.73 MEN1 (0.53) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL616341 0.73 MEN1 (0.53) MEN1ALDH1A1GAAKMT2ANOX1
SCHEMBL24654710 0.72 ALDH1A1 (0.49) MEN1ALDH1A1GAAKMT2ANOX1
SCHEMBL12692912 0.72 ALDH1A1 (0.49) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL30804421 0.72 RYR2 (0.63) MEN1ALDH1A1GAAKMT2ANOX1

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-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed