SCHEMBL29670963

SCHEMBL29670963

COC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCN2C(=O)Nc1ccc(C)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
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ MAPT P10636 5/20 0.47
▸ TP53 P04637 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HSD17B10 Q99714 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ FAAH O00519 3/20 0.46
▸ BRD4 O60885 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL28715967 1.00 HDAC1 (0.50) HDAC1HDAC6SMN1; SMN2MAPTTP53
SCHEMBL29670989 0.92 HDAC1 (0.50) HDAC1HDAC6SMN1; SMN2MAPTTP53
SCHEMBL28705611 0.92 HDAC1 (0.50) HDAC1HDAC6SMN1; SMN2MAPTTP53
SCHEMBL28707697 0.88 FAAH (0.49) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL28707698 0.83 MAPT (0.54) SMN1; SMN2MAPTTP53ALDH1A1MEN1
SCHEMBL28703410 0.79 CYP2C9 (0.58) HDAC1HDAC6SMN1; SMN2MAPTTP53
SCHEMBL28718272 0.79 ACHE (0.48) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL28715966 0.77 ALDH1A1 (0.55) SMN1; SMN2MAPTTP53ALDH1A1HSD17B10
SCHEMBL29670962 0.76 ALDH1A1 (0.58) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL23754421 0.73 ACHE (0.57) HDAC1HDAC6SMN1; SMN2ALDH1A1MEN1

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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