SCHEMBL21076999

SCHEMBL21076999

O=C(Cc1csc(N[S+]([O-])C2CC2)n1)Nc1ccc(-c2cccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 16/20 0.68
▸ WNT3A P56704 1/20 0.48
▸ CTPS2 Q9NRF8 1/20 0.46
▸ PORCN Q9H237 1/20 0.45
▸ ADRB2 P07550 2/20 0.44
▸ ADRB1 P08588 2/20 0.44
▸ ADRB3 P13945 2/20 0.44

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
SCHEMBL21077075 0.91 CTPS1 (0.64) CTPS1WNT3A
SCHEMBL21077246 0.90 CTPS1 (0.54) CTPS1
SCHEMBL21076877 0.89 CTPS1 (0.57) CTPS1WNT3A
SCHEMBL21076939 0.87 CTPS1 (0.51) CTPS1PORCN
SCHEMBL21077018 0.86 CTPS1 (0.53) CTPS1WNT3AADRB2ADRB1ADRB3
SCHEMBL21077101 0.86 CTPS1 (0.53) CTPS1
SCHEMBL21077150 0.86 CTPS1 (0.51) CTPS1
SCHEMBL21077035 0.84 CTPS1 (0.52) CTPS1
SCHEMBL21077137 0.83 CTPS1 (0.46) CTPS1WNT3ACTPS2
SCHEMBL21077128 0.83 CTPS1 (0.67) CTPS1WNT3A

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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