SCHEMBL22792002

SCHEMBL22792002

COc1cncc(NCc2cccc(S(C)(=O)=O)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.51
PTK2 Q05397 5/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
VNN1 O95497 2/20 0.42
PI4KB Q9UBF8 1/20 0.41
DGAT2 Q96PD7 1/20 0.40
CCR1 P32246 1/20 0.40
PTGDR Q13258 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL22792355 0.91 PTGS2 (0.44) PTGS2PTK2ATML3MBTL1VNN1
SCHEMBL22792315 0.89 CA1 (0.43) PTGS2PTK2ATML3MBTL1PTGDR
SCHEMBL22792051 0.85 PTGS2 (0.55) PTGS2
SCHEMBL22792194 0.82 TSHR (0.50) ATML3MBTL1ALDH1A1TSHR
SCHEMBL22792292 0.80 ALOX15 (0.44) ALDH1A1TSHR
SCHEMBL22792188 0.80 BRAF (0.53)
SCHEMBL22792343 0.78 CA1 (0.45) PTGS2ALDH1A1
SCHEMBL22792346 0.77 PTGS2 (0.39) PTGS2CCR1ALDH1A1TSHR
SCHEMBL22792359 0.77 CA1 (0.59)
SCHEMBL22792621 0.76 CYP1A2 (0.54) L3MBTL1ALDH1A1TSHR

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-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed