SCHEMBL21077055

SCHEMBL21077055

CCC(C(=O)Nc1ccc(-c2cncc(OC(F)F)c2)cn1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 16/20 0.47
▸ PTGS2 P35354 3/20 0.35
▸ ABL1 P00519 1/20 0.33

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
SCHEMBL21076879 0.91 CTPS1 (0.48) CTPS1PTGS2
SCHEMBL21077115 0.89 CTPS1 (0.46) CTPS1ABL1
SCHEMBL21077068 0.88 CTPS1 (0.52) CTPS1PTGS2
SCHEMBL30529059 0.85 CTPS1 (0.62) CTPS1
SCHEMBL21044066 0.85 CTPS1 (0.62) CTPS1
SCHEMBL21076942 0.83 CTPS1 (0.48) CTPS1PTGS2
SCHEMBL21076968 0.83 CTPS1 (0.48) CTPS1
SCHEMBL21077243 0.83 CTPS1 (0.42) CTPS1
SCHEMBL21077143 0.82 CTPS1 (0.44) CTPS1
SCHEMBL21077119 0.82 CTPS1 (0.48) CTPS1

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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