SCHEMBL29937460

SCHEMBL29937460

c1ccc(NCc2cscn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
GPR142 Q7Z601 5/20 0.50
KDM4C Q9H3R0 1/20 0.49
SLC6A3 Q01959 1/20 0.44
TAAR1 Q96RJ0 2/20 0.42
BUB1 O43683 1/20 0.41
LTA4H P09960 1/20 0.40
CAPN1 P07384 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
SCHEMBL3989514 0.80 GAA (0.50) GPR142KDM4C
SCHEMBL5015520 0.77 KCNH3 (0.62)
SCHEMBL7992030 0.76 GPR142 (0.49) MAOAGPR142KDM4CSLC6A3
SCHEMBL6031397 0.73 GAA (0.53) GPR142
SCHEMBL30373802 0.71 MAOA (1.00) MAOAMAOB
SCHEMBL522503 0.71 MAOA (1.00) MAOAMAOB
SCHEMBL11207065 0.70 MAOA (0.50) MAOAMAOBTAAR1LTA4H
SCHEMBL523447 0.70 MAOA (0.64) MAOAMAOBTAAR1LTA4H
SCHEMBL2736262 0.70
Hydrochloric Acid SCHEMBL4509967 0.69 MAOA (0.96) MAOAMAOB

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-2022226203-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION (US) 2022-10-27 WO disclosed