SCHEMBL28883135

SCHEMBL28883135

Nc1cccc(N(CCO)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAOB P27338 4/20 0.40
▸ MTNR1A P48039 4/20 0.39
▸ MTNR1B P49286 4/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ PBRM1 Q86U86 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TDP1 Q9NUW8 3/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36

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
SCHEMBL4667347 0.91 ALDH1A1 (0.38) MAOAKDM4EL3MBTL1MTNR1AMTNR1B
SCHEMBL28958670 0.83 CYP3A4 (0.54) MAOAKDM4EL3MBTL1MAOBMTNR1A
SCHEMBL453394 0.82 KDM4E (0.55) KDM4EL3MBTL1MTNR1AMTNR1BCYP3A4
SCHEMBL18604654 0.82 MAOA (0.44) MAOAKDM4EL3MBTL1MAOBMTNR1A
SCHEMBL29825453 0.82 MAOA (0.44) MAOAKDM4EL3MBTL1MAOBMTNR1A
SCHEMBL7923131 0.80 KDM4E (0.53) KDM4EL3MBTL1MTNR1AMTNR1BCYP3A4
SCHEMBL94021 0.79 CYP3A4 (0.42) MAOAKDM4EL3MBTL1MAOBCYP3A4
SCHEMBL29375628 0.79 CYP3A4 (0.42) MAOAKDM4EL3MBTL1MAOBCYP3A4
SCHEMBL1466819 0.78 MAOA (0.47) MAOAKDM4EL3MBTL1MAOBCYP3A4
SCHEMBL31067701 0.77 KLKB1 (0.39) MAOAKDM4EMAOBMTNR1AMTNR1B

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-109153934-B Polyester dispersants, synthesis and uses thereof 雪佛龙奥伦耐有限责任公司 2022-04-05 — — CN disclosed
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