SCHEMBL21077208

SCHEMBL21077208

Cc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)(=O)C4CCC4)n3)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.72
▸ CTPS2 Q9NRF8 4/20 0.72

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
SCHEMBL21044106 0.97 CTPS1 (0.77) CTPS1CTPS2
SCHEMBL21077185 0.87 CTPS1 (0.63) CTPS1CTPS2
SCHEMBL21044344 0.87 CTPS1 (0.75) CTPS1CTPS2
SCHEMBL21044110 0.87 CTPS1 (0.75) CTPS1CTPS2
SCHEMBL21044469 0.87 CTPS1 (0.93) CTPS1CTPS2
SCHEMBL21044555 0.87 CTPS1 (0.75) CTPS1CTPS2
SCHEMBL21044297 0.86 CTPS1 (0.82) CTPS1CTPS2
SCHEMBL21044139 0.86 CTPS1 (0.73) CTPS1CTPS2
SCHEMBL21044523 0.86 CTPS1 (0.73) CTPS1CTPS2
SCHEMBL30528745 0.86 CTPS1 (0.73) 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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