SCHEMBL21077158

SCHEMBL21077158

CCC(C(=O)Nc1ccc(-c2cncc(OCC(F)(F)F)c2)cc1F)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 18/20 0.60
▸ PTGS2 P35354 1/20 0.36
▸ CTPS2 Q9NRF8 1/20 0.35
▸ CTSK P43235 1/20 0.34
▸ CTSC P53634 1/20 0.34

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
SCHEMBL21076998 0.90 CTPS1 (0.59) CTPS1
SCHEMBL21077068 0.90 CTPS1 (0.52) CTPS1PTGS2CTPS2
SCHEMBL21076910 0.88 CTPS1 (0.47) CTPS1PTGS2CTPS2
SCHEMBL21387701 0.87 CTPS1 (0.75) CTPS1
SCHEMBL21077112 0.87 CTPS1 (0.56) CTPS1PTGS2
SCHEMBL30529009 0.86 CTPS1 (0.77) CTPS1CTPS2
SCHEMBL21044381 0.86 CTPS1 (0.77) CTPS1CTPS2
SCHEMBL21076935 0.85 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21077168 0.84 CTPS1 (0.57) CTPS1CTPS2
SCHEMBL21077253 0.82 CTPS1 (0.58) 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
Send feedback