SCHEMBL21077216

SCHEMBL21077216

CCCOc1cncc(-c2ccc(NC(=O)C(CC)c3csc(N[S+]([O-])C4CC4)n3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.49

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
SCHEMBL21077060 0.94 CTPS1 (0.56) CTPS1
SCHEMBL21076993 0.91 CTPS1 (0.48) CTPS1
SCHEMBL21077147 0.87 CTPS1 (0.54) CTPS1
SCHEMBL21077119 0.86 CTPS1 (0.48) CTPS1
SCHEMBL21076992 0.85 CTPS1 (0.40) CTPS1
SCHEMBL22762578 0.85 CTPS1 (0.42) CTPS1
SCHEMBL21077117 0.85 CTPS1 (0.55) CTPS1
SCHEMBL21077143 0.84 CTPS1 (0.44) CTPS1
SCHEMBL21044143 0.84 CTPS1 (0.65) CTPS1
SCHEMBL22762668 0.84 CTPS1 (0.46) 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
Send feedback