SCHEMBL8671012

SCHEMBL8671012

c1csc(CCc2nccs2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
NOS1 P29475 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FBP1 P09467 2/20 0.42
PDK1 Q15118 1/20 0.42
SLC6A3 Q01959 3/20 0.40
CYP2D6 P10635 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
PDPK1 O15530 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
TRPM5 Q9NZQ8 1/20 0.35
COPS5 Q92905 1/20 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
SCHEMBL1680370 0.85
SCHEMBL659365 0.85
SCHEMBL5548976 0.85
SCHEMBL357852 0.85
SCHEMBL841789 0.85
SCHEMBL1680371 0.85
SCHEMBL257550 0.85
SCHEMBL5871559 0.85
SCHEMBL11129960 0.85
SCHEMBL4652011 0.85

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US disclosed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US disclosed