SCHEMBL21077157

SCHEMBL21077157

CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(N[S+]([O-])C4CC4)n3)c(C)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.57
▸ CTPS2 Q9NRF8 2/20 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
SCHEMBL21077228 0.92 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21076903 0.89 CTPS1 (0.56) CTPS1CTPS2
SCHEMBL21077159 0.87 CTPS1 (0.49) CTPS1CTPS2
SCHEMBL21076980 0.85 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL30529020 0.85 CTPS1 (0.71) CTPS1CTPS2
SCHEMBL21044352 0.85 CTPS1 (0.71) CTPS1CTPS2
SCHEMBL21077104 0.84 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077010 0.84 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21077161 0.82 CTPS1 (0.47) CTPS1CTPS2
SCHEMBL21077013 0.82 CTPS1 (0.51) 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
Send feedback