SCHEMBL29670989

SCHEMBL29670989

COC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCN2C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ MAPT P10636 6/20 0.49
▸ FAAH O00519 5/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ PKM P14618 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ BRD4 O60885 1/20 0.46

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
SCHEMBL28705611 1.00 HDAC1 (0.50) HDAC1HDAC6MAPTFAAHSMN1; SMN2
SCHEMBL29670963 0.92 HDAC1 (0.50) HDAC1HDAC6MAPTFAAHSMN1; SMN2
SCHEMBL28715967 0.92 HDAC1 (0.50) HDAC1HDAC6MAPTFAAHSMN1; SMN2
SCHEMBL28707698 0.91 MAPT (0.54) MAPTFAAHSMN1; SMN2PKML3MBTL1
SCHEMBL28707697 0.86 FAAH (0.49) MAPTFAAHSMN1; SMN2PKMNPC1
SCHEMBL28718272 0.85 ACHE (0.48) MAPTFAAHSMN1; SMN2PKMNPC1
SCHEMBL28715966 0.83 ALDH1A1 (0.55) MAPTFAAHSMN1; SMN2L3MBTL1NPC1
SCHEMBL28714009 0.82 ALDH1A1 (0.58) MAPTFAAHSMN1; SMN2PKMNPC1
SCHEMBL29670962 0.82 ALDH1A1 (0.58) MAPTFAAHSMN1; SMN2PKMNPC1
SCHEMBL28692474 0.80 MAPT (0.53) MAPTSMN1; SMN2PKMKMT2AMEN1

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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