SCHEMBL21387662

SCHEMBL21387662

COCCC(C(=O)O)c1ccnc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 4/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ NPPA P01160 1/20 0.30
▸ MME P08473 1/20 0.30

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
SCHEMBL21387648 0.86 CTPS1 (0.38) CTPS1
SCHEMBL21392146 0.80 CTPS1 (0.32) CTPS1
SCHEMBL22924763 0.78 CTPS1 (0.50) CTPS1
SCHEMBL29228050 0.77 CTPS1 (0.49) CTPS1
Potassium SCHEMBL30882879 0.77 CTPS1 (0.49) CTPS1
Lithium SCHEMBL30518335 0.71 KMT2A (0.33) —
Potassium Ion SCHEMBL21373800 0.70 CTPS1 (0.49) CTPS1
SCHEMBL21373755 0.69 CTPS1 (0.50) CTPS1
SCHEMBL21392137 0.64 HPGD (0.33) —
SCHEMBL30518337 0.64 HPGD (0.33) —

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-3543232-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS Step Pharma S.A.S. (FR) 2019-09-25 — — EP disclosed
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