SCHEMBL21077153

SCHEMBL21077153

CC(C)(O)c1cccc(-c2ccc(NC(=O)C(C)(C)c3csc(N[S+]([O-])C4CC4)n3)nc2)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 17/20 0.46
▸ CTPS2 Q9NRF8 4/20 0.46
▸ ABL1 P00519 2/20 0.35

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
SCHEMBL21077188 0.93 CTPS1 (0.51) CTPS1CTPS2ABL1
SCHEMBL21076934 0.88 CTPS1 (0.45) CTPS1CTPS2
SCHEMBL21077093 0.87 CTPS1 (0.55) CTPS1CTPS2ABL1
SCHEMBL21077165 0.85 CTPS1 (0.47) CTPS1CTPS2
SCHEMBL21077203 0.85 CTPS1 (0.51) CTPS1CTPS2ABL1
SCHEMBL21077178 0.84 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL21076932 0.83 CTPS1 (0.52) CTPS1CTPS2ABL1
SCHEMBL21076941 0.83 CTPS1 (0.50) CTPS1CTPS2
SCHEMBL21044105 0.83 CTPS1 (0.66) CTPS1CTPS2
SCHEMBL30529069 0.83 CTPS1 (0.66) 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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