SCHEMBL28707698

SCHEMBL28707698

COc1ccc(NC(=O)N2CCN(Cc3ccccc3)c3cc(OC)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ MAOB P27338 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ FAAH O00519 6/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ BRD4 O60885 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TP53 P04637 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ CACNA1G O43497 2/20 0.47
▸ CACNA1H O95180 2/20 0.47

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
SCHEMBL28707697 0.95 FAAH (0.49) MAPTSMN1; SMN2RAB9ANPC1PKM
SCHEMBL28715966 0.92 ALDH1A1 (0.55) MAPTSMN1; SMN2RAB9ANPC1FAAH
SCHEMBL28718272 0.91 ACHE (0.48) MAPTSMN1; SMN2RAB9ANPC1PKM
SCHEMBL29670989 0.91 HDAC1 (0.50) MAPTSMN1; SMN2RAB9ANPC1PKM
SCHEMBL28705611 0.91 HDAC1 (0.50) MAPTSMN1; SMN2RAB9ANPC1PKM
SCHEMBL29670962 0.90 ALDH1A1 (0.58) MAPTSMN1; SMN2RAB9ANPC1PKM
SCHEMBL28714009 0.90 ALDH1A1 (0.58) MAPTSMN1; SMN2RAB9ANPC1PKM
SCHEMBL28705613 0.87 BRD4 (0.50) MAPTFAAHBRD4ALDH1A1TP53
SCHEMBL29670965 0.87 BRD4 (0.50) MAPTFAAHBRD4ALDH1A1TP53
SCHEMBL28707706 0.86 ALDH1A1 (0.51) MAPTSMN1; SMN2PKMFAAHMEN1

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-114276303-B Ureido compounds or pharmaceutically acceptable salts thereof, and preparation method and application thereof 河南大学 2023-09-22 — — CN disclosed
CN-114276303-A Ureido compound or its medicinal salt and its preparing process and application 河南大学 2022-04-05 — — CN disclosed
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