SCHEMBL21077083

SCHEMBL21077083

Cc1ncc(Cl)nc1-c1ccc(NC(=O)C(C)(C)c2csc(N[S+]([O-])C3CC3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 18/20 0.44
▸ CTPS2 Q9NRF8 4/20 0.44
▸ PDE5A O76074 1/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ ATAD2 Q6PL18 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
SCHEMBL21077069 0.93 CTPS1 (0.46) CTPS1CTPS2ATAD2
SCHEMBL21077142 0.88 CTPS1 (0.49) CTPS1CTPS2
SCHEMBL21077255 0.86 CTPS1 (0.46) CTPS1CTPS2
SCHEMBL21077058 0.85 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21044482 0.83 CTPS1 (0.66) CTPS1CTPS2
SCHEMBL21076933 0.82 CTPS1 (0.46) CTPS1CTPS2
SCHEMBL21077114 0.82 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077065 0.82 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21077118 0.82 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21076872 0.81 CTPS1 (0.52) 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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