SCHEMBL9718205

SCHEMBL9718205

CCC(NC(O)=S)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL445251 0.83 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL532918 0.79 ALDH1A1 (0.33) CA12CA1CA2CA9
SCHEMBL6073766 0.79 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL794227 0.76 USP2 (0.34) CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL793324 0.74 USP2 (0.33) CA12CA1CA2CA9
SCHEMBL15007582 0.74 KMT2A (0.36) CA12CA1CA2CA9
SCHEMBL11244262 0.73
SCHEMBL902118 0.73 ALDH1A1 (0.36) CA12CA1CA2CA9
SCHEMBL8534377 0.73 USP2 (0.36) CA12CA1CA2CA9
SCHEMBL9702897 0.73 USP2 (0.32)

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
EP-0280348-B1 FUNGICIDAL COMPOSITIONS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-09-23 EP claimed