SCHEMBL21077206

SCHEMBL21077206

CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NSC(C)C)n3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 20/20 0.56
CTPS2 Q9NRF8 2/20 0.42

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
SCHEMBL21076972 0.90 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21044433 0.86 CTPS1 (0.62) CTPS1CTPS2
SCHEMBL21077016 0.85 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL22491732 0.85 CTPS1 (0.64) CTPS1CTPS2
SCHEMBL21044166 0.85 CTPS1 (0.62) CTPS1CTPS2
SCHEMBL21044067 0.84 CTPS1 (0.72) CTPS1CTPS2
SCHEMBL21077200 0.83 CTPS1 (0.56) CTPS1CTPS2
SCHEMBL21044335 0.83 CTPS1 (0.63) CTPS1CTPS2
SCHEMBL21077012 0.82 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21076875 0.81 CTPS1 (0.53) 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