SCHEMBL21076941

SCHEMBL21076941

CC(C)(C(=O)Nc1ccc(-c2cncc(Cl)c2)cn1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 19/20 0.50
▸ CTPS2 Q9NRF8 4/20 0.50
▸ KDR P35968 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
SCHEMBL21076932 0.90 CTPS1 (0.52) CTPS1CTPS2
SCHEMBL21077163 0.90 CTPS1 (0.46) CTPS1CTPS2KDR
SCHEMBL21077065 0.89 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21077203 0.89 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21077063 0.89 CTPS1 (0.49) CTPS1CTPS2
SCHEMBL21077151 0.88 CTPS1 (0.48) CTPS1CTPS2
SCHEMBL21077238 0.88 CTPS1 (0.56) CTPS1CTPS2
SCHEMBL21077093 0.88 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077070 0.86 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL21077171 0.86 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
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