SCHEMBL21077040

SCHEMBL21077040

CC(C)(C(=O)Nc1ccc(-c2cccc(C#N)c2)cc1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 12/20 0.53
▸ CTPS2 Q9NRF8 2/20 0.48
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ MCHR1 Q99705 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ KCNQ1 P51787 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ CSNK2A3 Q8NEV1 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
SCHEMBL21077135 0.87 CTPS1 (0.52) CTPS1CTPS2
SCHEMBL21387641 0.84 CTPS1 (0.70) CTPS1PSEN1PSEN2APH1BNCSTN
SCHEMBL21044269 0.83 CTPS1 (0.71) CTPS1CTPS2
SCHEMBL21077212 0.82 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL21077114 0.82 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21076971 0.81 CTPS1 (0.46) CTPS1CTPS2
SCHEMBL21076872 0.81 CTPS1 (0.52) CTPS1CTPS2
SCHEMBL21076933 0.81 CTPS1 (0.46) CTPS1CTPS2KDM4E
SCHEMBL21077065 0.80 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21077141 0.80 CTPS1 (0.46) CTPS1CTPS2KDM4E

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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