SCHEMBL28937209

SCHEMBL28937209

COc1ccc2c(c1)N(Cc1ccccc1)CCN2C(=O)NC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.49
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC6 Q9UBN7 3/20 0.46
▸ MMP1 P03956 2/20 0.43
▸ MMP3 P08254 2/20 0.43
▸ MMP7 P09237 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TRPV1 Q8NER1 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ FAAH O00519 3/20 0.41
▸ CACNA1G O43497 2/20 0.41
▸ CACNA1H O95180 2/20 0.41
▸ CACNA1I Q9P0X4 2/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ ACHE P22303 1/20 0.40

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
SCHEMBL29670961 1.00 BRD4 (0.49) BRD4HDAC1HDAC6MMP1MMP3
SCHEMBL28707698 0.86 MAPT (0.54) BRD4MAPTALDH1A1LMNAFAAH
SCHEMBL29670965 0.86 BRD4 (0.50) BRD4HDAC1HDAC6MMP1MMP3
SCHEMBL28705613 0.86 BRD4 (0.50) BRD4HDAC1HDAC6MMP1MMP3
SCHEMBL28715966 0.84 ALDH1A1 (0.55) MAPTALDH1A1LMNAFAAHCACNA1G
SCHEMBL28719013 0.84 BRD4 (0.48) BRD4HDAC1HDAC6MAPTTRPV1
SCHEMBL31620916 0.84 HDAC1 (0.62) BRD4HDAC1HDAC6MMP1MMP3
SCHEMBL28707706 0.83 ALDH1A1 (0.51) BRD4MAPTTRPV1ALDH1A1FAAH
SCHEMBL28718309 0.83 BRD4 (0.47) BRD4MAPTTRPV1ALDH1A1ACHE
SCHEMBL29670959 0.83 BRD4 (0.47) BRD4HDAC1HDAC6MAPTTRPV1

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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