SCHEMBL21077152

SCHEMBL21077152

CC(C)C[S+]([O-])Nc1nc(C(C)(C)C(=O)Nc2ccc(-c3cncc(C(F)(F)F)n3)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 20/20 0.51
CTPS2 Q9NRF8 4/20 0.51

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
SCHEMBL21076966 0.85 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21077173 0.84 CTPS1 (0.57) CTPS1CTPS2
SCHEMBL21077084 0.84 CTPS1 (0.54) CTPS1CTPS2
SCHEMBL21044311 0.83 CTPS1 (0.59) CTPS1CTPS2
SCHEMBL21077176 0.82 CTPS1 (0.61) CTPS1CTPS2
SCHEMBL22491752 0.80 CTPS1 (0.70) CTPS1CTPS2
SCHEMBL22491681 0.80 CTPS1 (0.69) CTPS1CTPS2
SCHEMBL21044174 0.79 CTPS1 (0.63) CTPS1CTPS2
SCHEMBL21076988 0.78 CTPS1 (0.54) CTPS1CTPS2
SCHEMBL21044285 0.77 CTPS1 (0.82) 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