SCHEMBL21076974

SCHEMBL21076974

CCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(N[S+]([O-])C4CC4)n3)nc2)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 19/20 0.50
▸ CTPS2 Q9NRF8 4/20 0.47
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34

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
SCHEMBL21077063 0.91 CTPS1 (0.49) CTPS1CTPS2
SCHEMBL21077050 0.91 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21076968 0.88 CTPS1 (0.48) CTPS1CTPS2
SCHEMBL21076932 0.88 CTPS1 (0.52) CTPS1CTPS2
SCHEMBL21076941 0.86 CTPS1 (0.50) CTPS1CTPS2
SCHEMBL21077165 0.85 CTPS1 (0.47) CTPS1CTPS2
SCHEMBL21077203 0.85 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL30528808 0.84 CTPS1 (0.67) CTPS1CTPS2
SCHEMBL21044476 0.84 CTPS1 (0.67) CTPS1CTPS2
SCHEMBL21077151 0.84 CTPS1 (0.48) 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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