SCHEMBL21076922

SCHEMBL21076922

CC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(N[S+]([O-])C4CC4)n3)c(F)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 17/20 0.57
▸ CTPS2 Q9NRF8 3/20 0.49
▸ NR4A2 P43354 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ GSK3B P49841 1/20 0.36

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
SCHEMBL21076920 0.94 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21076891 0.92 CTPS1 (0.57) CTPS1CTPS2
SCHEMBL21076976 0.90 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077172 0.89 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077149 0.89 CTPS1 (0.59) CTPS1CTPS2
SCHEMBL21077168 0.89 CTPS1 (0.57) CTPS1CTPS2
SCHEMBL21077171 0.87 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21077036 0.87 CTPS1 (0.72) CTPS1CTPS2
SCHEMBL21076967 0.85 CTPS1 (0.56) CTPS1CTPS2CYP11B1CYP11B2GSK3B
SCHEMBL21044181 0.85 CTPS1 (0.76) 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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