SCHEMBL21076976

SCHEMBL21076976

CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(N[S+]([O-])C4CC4)n3)c(F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 18/20 0.55
▸ CTPS2 Q9NRF8 3/20 0.49
▸ PIK3CG P48736 1/20 0.40
▸ PTGS2 P35354 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
SCHEMBL21077168 0.93 CTPS1 (0.57) CTPS1CTPS2
SCHEMBL21076891 0.92 CTPS1 (0.57) CTPS1CTPS2PIK3CG
SCHEMBL21076922 0.90 CTPS1 (0.57) CTPS1CTPS2
SCHEMBL21076920 0.90 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077149 0.89 CTPS1 (0.59) CTPS1CTPS2PIK3CG
SCHEMBL21077228 0.88 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21077171 0.87 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21077036 0.87 CTPS1 (0.72) CTPS1CTPS2PTGS2
SCHEMBL21076967 0.85 CTPS1 (0.56) CTPS1CTPS2PIK3CG
SCHEMBL21044444 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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