SCHEMBL22485487

SCHEMBL22485487

CC(=O)c1csc(CN)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
GSK3B P49841 1/20 0.49
DAO P14920 3/20 0.48
TP53 P04637 4/20 0.38
RAB9A P51151 4/20 0.38
USP2 O75604 1/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 2/20 0.36
CA5A P35218 1/20 0.35
LOX P28300 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL13614249 0.82 DAO (0.66) CA2GSK3BDAOTP53RAB9A
SCHEMBL25363505 0.82 DAO (0.46) GSK3BDAOTP53RAB9AUSP2
SCHEMBL10447678 0.82 DAO (0.50) CA2GSK3BDAOTP53RAB9A
SCHEMBL11636124 0.80 GSK3B (0.49) CA2GSK3BDAOTP53RAB9A
Hydrochloric Acid SCHEMBL25366949 0.80 DAO (0.44) GSK3BDAOTP53RAB9AUSP2
SCHEMBL12407032 0.79 LOXL2 (0.49) CA2DAOTP53RAB9AUSP2
SCHEMBL4475685 0.79 RAB9A (0.45) DAOTP53RAB9AUSP2MAPT
SCHEMBL1706391 0.78 DAO (0.52) CA2GSK3BDAOTP53RAB9A
SCHEMBL25364110 0.77 DAO (0.39) CA2GSK3BDAOTP53RAB9A
SCHEMBL25364217 0.77 MAPT (0.43) DAORAB9AMAPTGAASMN1; SMN2

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-2020198062-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-10-01 WO disclosed