SCHEMBL21076910

SCHEMBL21076910

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 12/20 0.47
▸ PTGS2 P35354 3/20 0.36
▸ PIK3CG P48736 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PSMD14 O00487 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CTPS2 Q9NRF8 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ ROCK1 Q13464 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
SCHEMBL21077112 0.92 CTPS1 (0.56) CTPS1PTGS2MEN1PSMD14KMT2A
SCHEMBL21077068 0.90 CTPS1 (0.52) CTPS1PTGS2CTPS2
SCHEMBL21077048 0.90 CTPS1 (0.43) CTPS1PTGS2PIK3CGABL1
SCHEMBL21077158 0.88 CTPS1 (0.60) CTPS1PTGS2CTPS2
SCHEMBL21077115 0.88 CTPS1 (0.46) CTPS1ABL1GSK3BDYRK1A
SCHEMBL21077253 0.86 CTPS1 (0.58) CTPS1ABL1MEN1PSMD14KMT2A
SCHEMBL21076935 0.86 CTPS1 (0.51) CTPS1MEN1PSMD14KMT2ACTPS2
SCHEMBL21076917 0.85 CTPS1 (0.59) CTPS1CTPS2
SCHEMBL21044488 0.84 CTPS1 (0.62) CTPS1CTPS2
SCHEMBL30528780 0.84 CTPS1 (0.62) 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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