SCHEMBL21076973

SCHEMBL21076973

CC(C)(C(=O)Nc1ncc(-c2cncc(C(F)(F)F)c2)cn1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 14/20 0.52
▸ CTPS2 Q9NRF8 4/20 0.43
▸ CNR2 P34972 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ GRIN2B Q13224 2/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ IDH1 O75874 1/20 0.33

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
SCHEMBL21077174 0.87 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL21076901 0.86 CTPS1 (0.45) CTPS1CTPS2
SCHEMBL21077036 0.86 CTPS1 (0.72) CTPS1CTPS2PIK3CD
SCHEMBL21077074 0.85 CTPS1 (0.60) CTPS1CTPS2PIK3CD
SCHEMBL21044464 0.83 CTPS1 (0.75) CTPS1CTPS2
SCHEMBL21077188 0.80 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21076932 0.80 CTPS1 (0.52) CTPS1CTPS2
SCHEMBL21077070 0.79 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL21076924 0.78 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21077203 0.78 CTPS1 (0.51) 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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