SCHEMBL21077169

SCHEMBL21077169

CC(C)(C(=O)Nc1ccc(-c2cncc(OC3CCC3)n2)cn1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 19/20 0.52
▸ CTPS2 Q9NRF8 3/20 0.52
▸ FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL21076969 0.97 CTPS1 (0.54) CTPS1CTPS2
SCHEMBL21077218 0.91 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21076923 0.89 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21076952 0.88 CTPS1 (0.54) CTPS1CTPS2
SCHEMBL21076946 0.87 CTPS1 (0.57) CTPS1CTPS2
SCHEMBL21077238 0.86 CTPS1 (0.56) CTPS1CTPS2
SCHEMBL21044323 0.84 CTPS1 (0.74) CTPS1CTPS2
SCHEMBL30528884 0.84 CTPS1 (0.74) CTPS1CTPS2
SCHEMBL21077203 0.82 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21387651 0.82 CTPS1 (0.59) 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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