SCHEMBL21076917

SCHEMBL21076917

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

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.59
▸ CTPS2 Q9NRF8 1/20 0.38

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
SCHEMBL21076763 0.89 CTPS1 (0.51) CTPS1
SCHEMBL21077253 0.88 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21077060 0.88 CTPS1 (0.56) CTPS1
SCHEMBL21076935 0.88 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21077119 0.88 CTPS1 (0.48) CTPS1
SCHEMBL21076910 0.85 CTPS1 (0.47) CTPS1CTPS2
SCHEMBL21044214 0.85 CTPS1 (0.76) CTPS1CTPS2
SCHEMBL22491673 0.85 CTPS1 (0.76) CTPS1CTPS2
SCHEMBL22491668 0.85 CTPS1 (0.76) CTPS1CTPS2
SCHEMBL30528953 0.85 CTPS1 (0.76) 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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