SCHEMBL29440747

SCHEMBL29440747

O=C(O)c1cnc2c(-c3cc(Cl)cc(Cl)c3)cncc2c1N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PRKAB2 O43741 2/20 0.42
▸ PRKAG1 P54619 2/20 0.42
▸ PRKAA2 P54646 2/20 0.42
▸ PRKAA1 Q13131 2/20 0.42
▸ PRKAG3 Q9UGI9 2/20 0.42
▸ PRKAG2 Q9UGJ0 2/20 0.42
▸ PRKAB1 Q9Y478 2/20 0.42
▸ PKM P14618 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SSTR2 P30874 3/20 0.38
▸ ATR Q13535 2/20 0.38
▸ ATRIP Q8WXE1 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ ACLY P53396 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL22734593 1.00 MEN1 (0.45) MEN1KMT2APRKAB2PRKAG1PRKAA2
SCHEMBL22734620 0.85 PKM (0.61) MEN1KMT2APKMALDH1A1KDM4E
SCHEMBL29440759 0.85 PKM (0.61) MEN1KMT2APKMALDH1A1KDM4E
SCHEMBL30824251 0.80 MEN1 (0.47) MEN1KMT2APRKAB2PRKAG1PRKAA2
SCHEMBL30207742 0.80 PKM (0.47) MEN1KMT2APRKAB2PRKAG1PRKAA2
SCHEMBL26167969 0.80 PKM (0.47) MEN1KMT2APRKAB2PRKAG1PRKAA2
SCHEMBL20600367 0.80 MEN1 (0.47) MEN1KMT2APRKAB2PRKAG1PRKAA2
SCHEMBL22734543 0.78 KMT2A (0.41) MEN1KMT2APKMALDH1A1KDM4E
SCHEMBL29440697 0.78 KMT2A (0.41) MEN1KMT2APKMALDH1A1KDM4E
SCHEMBL20599903 0.78 SSTR2 (0.40) MEN1KMT2APKMSSTR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206860-B Bicyclic derivatives for the treatment of endoparasites 礼蓝动物保健有限公司 2025-02-18 — — CN disclosed
EP-3980414-A1 BICYCLIC DERIVATIVES FOR TREATING ENDOPARASITES Elanco Tiergesundheit AG (CH) 2022-04-13 — — EP disclosed
CN-114206860-A Bicyclic derivatives for the treatment of endoparasites 礼蓝动物保健有限公司 2022-03-18 — — CN disclosed
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