SCHEMBL21077143

SCHEMBL21077143

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

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.44
▸ CTPS2 Q9NRF8 1/20 0.35

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
SCHEMBL21077119 0.94 CTPS1 (0.48) CTPS1
SCHEMBL21077243 0.93 CTPS1 (0.42) CTPS1CTPS2
SCHEMBL21077060 0.85 CTPS1 (0.56) CTPS1
SCHEMBL21077216 0.84 CTPS1 (0.49) CTPS1
SCHEMBL21077115 0.84 CTPS1 (0.46) CTPS1
SCHEMBL21044078 0.84 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL30528813 0.84 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21076992 0.83 CTPS1 (0.40) CTPS1
SCHEMBL21076993 0.82 CTPS1 (0.48) CTPS1
SCHEMBL21077055 0.82 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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