SCHEMBL21076980

SCHEMBL21076980

CC(C)(C(=O)Nc1ccc(-c2cncc(OCC(F)(F)F)n2)cc1F)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.58
▸ CTPS2 Q9NRF8 2/20 0.58

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
SCHEMBL21077228 0.93 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21077010 0.91 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21077051 0.89 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21077043 0.89 CTPS1 (0.72) CTPS1CTPS2
SCHEMBL21076946 0.89 CTPS1 (0.57) CTPS1CTPS2
SCHEMBL21077168 0.88 CTPS1 (0.57) CTPS1CTPS2
SCHEMBL21044275 0.85 CTPS1 (0.80) CTPS1CTPS2
SCHEMBL30528801 0.85 CTPS1 (0.80) CTPS1CTPS2
SCHEMBL21077157 0.85 CTPS1 (0.57) CTPS1CTPS2
SCHEMBL21077036 0.83 CTPS1 (0.72) 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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