SCHEMBL21077008

SCHEMBL21077008

Cc1ccncc1-c1ccc(NC(=O)C(C)(C)c2csc(N[S+]([O-])C3CC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 12/20 0.51
▸ CTPS2 Q9NRF8 4/20 0.51
▸ ABL1 P00519 6/20 0.40
▸ PDGFRA P16234 2/20 0.40
▸ KIT P10721 1/20 0.40
▸ FPR1 P21462 1/20 0.37
▸ FPR2 P25090 1/20 0.37
▸ MAP4K1 Q92918 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
SCHEMBL21077146 0.89 CTPS1 (0.49) CTPS1CTPS2ABL1
SCHEMBL21077114 0.85 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077118 0.85 CTPS1 (0.51) CTPS1CTPS2ABL1
SCHEMBL21076872 0.84 CTPS1 (0.52) CTPS1CTPS2
SCHEMBL21076994 0.84 CTPS1 (0.48) CTPS1CTPS2
SCHEMBL21077207 0.83 CTPS1 (0.69) CTPS1CTPS2
SCHEMBL21077142 0.83 CTPS1 (0.49) CTPS1CTPS2ABL1
SCHEMBL21077164 0.82 CTPS1 (0.49) CTPS1CTPS2
SCHEMBL21077069 0.82 CTPS1 (0.46) CTPS1CTPS2
SCHEMBL21044184 0.82 CTPS1 (0.75) 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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