SCHEMBL28707706

SCHEMBL28707706

COc1ccc2c(c1)N(Cc1ccccc1)CCN2C(=O)Nc1ccccc1OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ KMT2A Q03164 5/20 0.50
▸ MAPT P10636 2/20 0.50
▸ SIGMAR1 Q99720 1/20 0.49
▸ PKM P14618 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ TRPV1 Q8NER1 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ FAAH O00519 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
SCHEMBL28718274 0.94 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTSIGMAR1MAPK1
SCHEMBL29670971 0.94 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTSIGMAR1MAPK1
SCHEMBL28718309 0.90 BRD4 (0.47) ALDH1A1KMT2AMAPTSIGMAR1BRD4
SCHEMBL28722559 0.88 KDM4E (0.53) ALDH1A1KMT2ASIGMAR1MAPK1BRD4
SCHEMBL28715966 0.87 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL28707698 0.86 MAPT (0.54) ALDH1A1KMT2AMAPTPKMBRD4
SCHEMBL28707700 0.86 GAA (0.48) ALDH1A1KMT2AMAPTBRD4MEN1
SCHEMBL28705613 0.84 BRD4 (0.50) ALDH1A1MAPTBRD4TRPV1KDM4E
SCHEMBL29670965 0.84 BRD4 (0.50) ALDH1A1MAPTBRD4TRPV1KDM4E
SCHEMBL28937209 0.83 BRD4 (0.49) ALDH1A1MAPTBRD4TRPV1FAAH

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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