SCHEMBL20207720

SCHEMBL20207720

CC(C)Cc1coc(CS)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPPA P01160 1/20 0.37
MME P08473 1/20 0.37
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL21325063 0.78 NPPA (0.36) NPPAMMENOS3NOS1NOS2
SCHEMBL20206958 0.76 NPPA (0.38) NPPAMMENOS3NOS1NOS2
SCHEMBL13171537 0.74 NOS3 (0.41) NPPAMMENOS3NOS1NOS2
SCHEMBL30142931 0.72 NOS2 (0.44) NPPAMMENOS3NOS1NOS2
SCHEMBL12120612 0.72 NOS3 (0.36) NPPAMMENOS3NOS1NOS2
SCHEMBL20153136 0.69
SCHEMBL1201329 0.66 RORC (0.33) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL13827902 0.65 KDM4E (0.37) NOS3NOS1NOS2KDM4EHPGD
SCHEMBL13827910 0.65 NPPA (0.32) NPPAMMENOS3NOS1NOS2
SCHEMBL20206847 0.64 GABRA1 (0.38) NOS3NOS1NOS2KDM4EALDH1A1

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-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed