SCHEMBL29670957

SCHEMBL29670957

COc1ccc(OC)c(NC(=O)N2CCNc3cc(OC)ccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
TP53 P04637 3/20 0.52
THRB P10828 1/20 0.52
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL28705641 1.00 MAPT (0.52) MAPTTP53THRBGAAKMT2A
SCHEMBL28715922 0.91 MAPT (0.57) MAPTTP53THRBGAAKMT2A
SCHEMBL29670966 0.91 MAPT (0.57) MAPTTP53THRBGAAKMT2A
SCHEMBL28719380 0.85 MAPT (0.55) MAPTTP53THRBKMT2ATSHR
SCHEMBL29670976 0.85 MAPT (0.55) MAPTTP53THRBKMT2ATSHR
SCHEMBL29670970 0.85 KMT2A (0.51) MAPTTP53THRBGAAKMT2A
SCHEMBL28718270 0.85 KMT2A (0.51) MAPTTP53THRBGAAKMT2A
SCHEMBL28937215 0.83 MMP2 (0.52) MAPTTHRBGAAKDM4EALDH1A1
SCHEMBL29670974 0.83 MMP2 (0.52) MAPTTHRBGAAKDM4EALDH1A1
SCHEMBL28719007 0.82 MMP2 (0.46) MAPTTP53THRBKDM4EALDH1A1

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