SCHEMBL21077255

SCHEMBL21077255

Cc1ncc(-c2ccc(NC(=O)C(C)(C)c3csc(N[S+]([O-])C4CC4)n3)cc2)nc1C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 18/20 0.46
▸ CTPS2 Q9NRF8 4/20 0.46
▸ MAPT P10636 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL21076994 0.88 CTPS1 (0.48) CTPS1CTPS2
SCHEMBL21077069 0.88 CTPS1 (0.46) CTPS1CTPS2MAPTNPC1RAB9A
SCHEMBL21077083 0.86 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL21077058 0.85 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21077142 0.85 CTPS1 (0.49) CTPS1CTPS2MAPT
SCHEMBL21077173 0.85 CTPS1 (0.57) CTPS1CTPS2
SCHEMBL21077160 0.84 CTPS1 (0.54) CTPS1CTPS2
SCHEMBL21076929 0.84 CTPS1 (0.46) CTPS1CTPS2
SCHEMBL21077114 0.84 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077118 0.84 CTPS1 (0.51) 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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