SCHEMBL21044115

SCHEMBL21044115

C=C(C(=O)Nc1ccc(-c2cccnc2)cc1)c1csc(NS(=O)(=O)C2CC2)n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 20/20 0.68
CTPS2 Q9NRF8 1/20 0.66

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
SCHEMBL21044327 0.91 CTPS1 (0.70) CTPS1CTPS2
SCHEMBL21044426 0.90 CTPS1 (0.56) CTPS1CTPS2
SCHEMBL21044532 0.86 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21373786 0.83 CTPS1 (0.68) CTPS1CTPS2
SCHEMBL21044470 0.81 CTPS1 (0.56) CTPS1CTPS2
SCHEMBL21044408 0.81 CTPS1 (1.00) CTPS1CTPS2
SCHEMBL21044346 0.80 CTPS1 (0.72) CTPS1CTPS2
SCHEMBL21044129 0.79 CTPS1 (1.00) CTPS1CTPS2
SCHEMBL21044334 0.79 CTPS1 (0.81) CTPS1CTPS2
SCHEMBL21044213 0.78 CTPS1 (0.65) 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