SCHEMBL21076927

SCHEMBL21076927

CCC(C(=O)Nc1ncc(-c2cncc(C#N)n2)cc1F)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 13/20 0.44
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ CTSC P53634 1/20 0.31
▸ EP300 Q09472 1/20 0.30

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
SCHEMBL21076763 0.88 CTPS1 (0.51) CTPS1
SCHEMBL21044439 0.85 CTPS1 (0.58) CTPS1
SCHEMBL21077155 0.82 CTPS1 (0.43) CTPS1CYP11B1CYP11B2
SCHEMBL22762578 0.78 CTPS1 (0.42) CTPS1
SCHEMBL21076917 0.78 CTPS1 (0.59) CTPS1
SCHEMBL21077253 0.77 CTPS1 (0.58) CTPS1
SCHEMBL21076935 0.77 CTPS1 (0.51) CTPS1
SCHEMBL21077144 0.75 CTPS1 (0.55) CTPS1
SCHEMBL21077115 0.75 CTPS1 (0.46) CTPS1
SCHEMBL21076910 0.75 CTPS1 (0.47) CTPS1

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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