SCHEMBL29670982

SCHEMBL29670982

COc1cccc(NC(=O)N2CCNc3cc(OC)ccc32)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPK1 P28482 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HTT P42858 2/20 0.57
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
TP53 P04637 3/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
DGAT1 O75907 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 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
SCHEMBL28719037 1.00 ALDH1A1 (0.57) ALDH1A1MAPK1L3MBTL1HTTNPC1
SCHEMBL28719380 0.89 MAPT (0.55) ALDH1A1HTTNPC1RAB9ATP53
SCHEMBL29670976 0.89 MAPT (0.55) ALDH1A1HTTNPC1RAB9ATP53
SCHEMBL29670964 0.86 MAPT (0.48) ALDH1A1HTTNPC1RAB9ATP53
SCHEMBL28722560 0.86 MAPT (0.48) ALDH1A1HTTNPC1RAB9ATP53
SCHEMBL28719012 0.85 MAPT (0.47) ALDH1A1MAPK1L3MBTL1HTTNPC1
SCHEMBL29670966 0.85 MAPT (0.57) ALDH1A1MAPK1NPC1RAB9ATP53
SCHEMBL28715922 0.85 MAPT (0.57) ALDH1A1MAPK1NPC1RAB9ATP53
SCHEMBL28722558 0.85 MMP2 (0.43) ALDH1A1MAPK1L3MBTL1HTTNPC1
SCHEMBL29670973 0.85 MMP2 (0.43) ALDH1A1MAPK1L3MBTL1HTTNPC1

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