SCHEMBL28874643

SCHEMBL28874643

Fc1c(F)c(F)c(Oc2nc(Cl)ncc2Cl)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ PIN1 Q13526 8/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2062113 0.75 PIN1 (0.40) POLBCASP6PIN1ALDH1A1GAA
SCHEMBL2062610 0.73 PIN1 (0.47) POLBCASP6PIN1ALDH1A1GAA
SCHEMBL29596360 0.70 PIN1 (0.64) POLBCASP6PIN1ALDH1A1GAA
SCHEMBL22895754 0.70 PIN1 (0.64) POLBCASP6PIN1ALDH1A1GAA
SCHEMBL1981633 0.70 ALDH1A1 (0.46) POLBCASP6PIN1ALDH1A1GAA
SCHEMBL9193480 0.69 CTSC (0.38) POLBCASP6PIN1
SCHEMBL24392929 0.68 PIN1 (0.43) POLBCASP6PIN1ALDH1A1GAA
SCHEMBL3813480 0.68 KCNH2 (0.44) POLBPIN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30584579 0.68 PIN1 (0.43) POLBCASP6PIN1ALDH1A1GAA
SCHEMBL16618084 0.68 FEN1 (0.44) POLBCASP6GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260105-B Aromatic heterocarbamic acid compound and preparation method and application thereof 启东东岳药业有限公司 2024-01-16 — — CN disclosed
CN-115260105-A Aromatic heterocyclic carbamic acid compound and preparation method and application thereof 启东东岳药业有限公司 2022-11-01 — — CN disclosed
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