SCHEMBL29670971

SCHEMBL29670971

COc1ccc(OC)c(NC(=O)N2CCN(Cc3ccccc3)c3cc(OC)ccc32)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ KMT2A Q03164 4/20 0.54
▸ MAPT P10636 3/20 0.53
▸ POLB P06746 1/20 0.51
▸ ALOX15 P16050 1/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ BRD4 O60885 1/20 0.47
▸ SIGMAR1 Q99720 1/20 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
SCHEMBL28718274 1.00 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTPOLBALOX15
SCHEMBL28707706 0.94 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL28718309 0.88 BRD4 (0.47) ALDH1A1KMT2AMAPTMEN1BRD4
SCHEMBL28707698 0.86 MAPT (0.54) ALDH1A1KMT2AMAPTMEN1TP53
SCHEMBL28722559 0.86 KDM4E (0.53) ALDH1A1KMT2APOLBALOX15MEN1
SCHEMBL28715966 0.84 ALDH1A1 (0.55) ALDH1A1MAPTTP53MAPK1
SCHEMBL29670965 0.84 BRD4 (0.50) ALDH1A1MAPTTP53BRD4
SCHEMBL28705613 0.84 BRD4 (0.50) ALDH1A1MAPTTP53BRD4
SCHEMBL28937209 0.83 BRD4 (0.49) ALDH1A1MAPTBRD4
SCHEMBL29670961 0.83 BRD4 (0.49) ALDH1A1MAPTBRD4

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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