SCHEMBL21077117

SCHEMBL21077117

CCC(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cc1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 19/20 0.55
▸ CTPS2 Q9NRF8 2/20 0.40
▸ ADRB3 P13945 1/20 0.35

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
SCHEMBL21076935 0.89 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21076993 0.89 CTPS1 (0.48) CTPS1
SCHEMBL21077147 0.88 CTPS1 (0.54) CTPS1ADRB3
SCHEMBL22762578 0.86 CTPS1 (0.42) CTPS1ADRB3
SCHEMBL21077060 0.86 CTPS1 (0.56) CTPS1
SCHEMBL21077216 0.85 CTPS1 (0.49) CTPS1
SCHEMBL21044460 0.84 CTPS1 (0.73) CTPS1CTPS2
SCHEMBL21077048 0.83 CTPS1 (0.43) CTPS1ADRB3
SCHEMBL21077199 0.82 CTPS1 (0.53) CTPS1CTPS2ADRB3
SCHEMBL21077173 0.82 CTPS1 (0.57) 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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