SCHEMBL21076763

SCHEMBL21076763

CCOc1cncc(-c2cnc(NC(=O)C(CC)c3csc(N[S+]([O-])C4CC4)n3)c(F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 19/20 0.51
▸ FFAR4 Q5NUL3 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
SCHEMBL21076917 0.89 CTPS1 (0.59) CTPS1
SCHEMBL21076927 0.88 CTPS1 (0.44) CTPS1
SCHEMBL21077119 0.87 CTPS1 (0.48) CTPS1
SCHEMBL21077060 0.86 CTPS1 (0.56) CTPS1
SCHEMBL30528806 0.85 CTPS1 (0.66) CTPS1
SCHEMBL21044092 0.85 CTPS1 (0.66) CTPS1
SCHEMBL21077104 0.83 CTPS1 (0.55) CTPS1
SCHEMBL21077143 0.81 CTPS1 (0.44) CTPS1
SCHEMBL21077216 0.80 CTPS1 (0.49) CTPS1
SCHEMBL21076993 0.80 CTPS1 (0.48) 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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