SCHEMBL21076971

SCHEMBL21076971

CC(C)(C(=O)Nc1ccc(-c2cncc(C#N)n2)cc1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.46
▸ CTPS2 Q9NRF8 4/20 0.46

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
SCHEMBL21076919 0.92 CTPS1 (0.46) CTPS1CTPS2
SCHEMBL21077049 0.90 CTPS1 (0.36) CTPS1CTPS2
SCHEMBL21076994 0.88 CTPS1 (0.48) CTPS1CTPS2
SCHEMBL21076929 0.88 CTPS1 (0.46) CTPS1CTPS2
SCHEMBL21077058 0.88 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21077173 0.87 CTPS1 (0.57) CTPS1CTPS2
SCHEMBL21077160 0.86 CTPS1 (0.54) CTPS1CTPS2
SCHEMBL21077254 0.86 CTPS1 (0.46) CTPS1CTPS2
SCHEMBL21077017 0.85 CTPS1 (0.45) CTPS1CTPS2
SCHEMBL21076952 0.85 CTPS1 (0.54) 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
Send feedback