SCHEMBL28896523

SCHEMBL28896523

CC(C)(C)OC(=O)N1CCC(OCCn2c(=S)[nH]c(=O)c3[nH]ccc32)(C(F)(F)F)C1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 7/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ TPO P07202 6/20 0.38
▸ JAK1 P23458 12/20 0.38
▸ JAK2 O60674 5/20 0.38

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
SCHEMBL28896077 0.93 MPO (0.51) MPOOPRM1TPOJAK1JAK2
SCHEMBL28959826 0.87 MPO (0.50) MPOOPRM1TPOJAK1JAK2
SCHEMBL28896649 0.77 MPO (0.53) MPOOPRM1TPO
SCHEMBL28896519 0.77 MPO (0.52) MPOOPRM1TPO
SCHEMBL29211240 0.77 MPO (0.52) MPOOPRM1TPO
SCHEMBL28959822 0.76 MPO (0.53) MPOOPRM1TPO
SCHEMBL28896428 0.73 JAK1 (0.33) JAK1JAK2
SCHEMBL30029009 0.73 MPO (0.58) MPOOPRM1TPO
SCHEMBL28896661 0.71 CYP4F2 (0.38) —
SCHEMBL29211272 0.69 RORC (0.37) —

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
CN-115403584-A 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-29 — — CN disclosed
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