SCHEMBL30601296

SCHEMBL30601296

O=c1[nH]c(=S)n(Cc2ccc(Cl)cc2C2OCCO2)c2cc[nH]c12

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 20/20 0.66
▸ TPO P07202 18/20 0.66
▸ CYP3A4 P08684 2/20 0.66
▸ KCNH2 Q12809 2/20 0.66

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
SCHEMBL30601231 0.85 MPO (0.52) MPOTPOCYP3A4KCNH2
SCHEMBL17782065 0.85 MPO (0.67) MPOTPOCYP3A4KCNH2
SCHEMBL27223537 0.84 MPO (0.59) MPOTPOCYP3A4KCNH2
SCHEMBL27223590 0.84 MPO (0.59) MPOTPOCYP3A4KCNH2
SCHEMBL30749270 0.84 MPO (0.59) MPOTPOCYP3A4KCNH2
SCHEMBL27223495 0.84 MPO (0.59) MPOTPOCYP3A4KCNH2
SCHEMBL30749310 0.82 MPO (0.72) MPOTPOCYP3A4KCNH2
SCHEMBL30749312 0.82 MPO (0.72) MPOTPOCYP3A4KCNH2
SCHEMBL27223497 0.82 MPO (0.72) MPOTPOCYP3A4KCNH2
SCHEMBL27223366 0.82 MPO (0.72) MPOTPOCYP3A4KCNH2

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-116514816-A Pyrimidinone pyrrole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-08-01 — — CN disclosed
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