SCHEMBL21076945

SCHEMBL21076945

CC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(N[S+]([O-])C4CC4)n3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.46
▸ CTPS2 Q9NRF8 4/20 0.46

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
SCHEMBL21077160 0.91 CTPS1 (0.54) CTPS1CTPS2
SCHEMBL21076923 0.91 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21076952 0.90 CTPS1 (0.54) CTPS1CTPS2
SCHEMBL21076903 0.89 CTPS1 (0.56) CTPS1CTPS2
SCHEMBL21077218 0.88 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21077051 0.87 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21076994 0.87 CTPS1 (0.48) CTPS1CTPS2
SCHEMBL21077058 0.86 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21077172 0.86 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077173 0.85 CTPS1 (0.57) CTPS1CTPS2

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-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 — — EP disclosed
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