SCHEMBL20201720

SCHEMBL20201720

CSCCc1c[nH]c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HMBS P08397 1/20 0.37
DAO P14920 3/20 0.33
NOTUM Q6P988 1/20 0.30

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
SCHEMBL5804646 0.69
SCHEMBL23888882 0.68 MAOA (0.43)
SCHEMBL13233368 0.67
SCHEMBL3538776 0.67
SCHEMBL23241465 0.67
SCHEMBL14346666 0.65 CYP1A2 (0.52)
SCHEMBL10204878 0.65 TAAR1 (0.61) DAO
SCHEMBL273440 0.64 ALDH1A1 (0.50)
SCHEMBL18921889 0.64
SCHEMBL890891 0.64 HMBS (0.40) HMBSDAONOTUM

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-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed