SCHEMBL29670976

SCHEMBL29670976

COc1ccc(NC(=O)N2CCNc3cc(OC)ccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
MAOB P27338 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
TP53 P04637 2/20 0.53
THRB P10828 1/20 0.53
BLM P54132 1/20 0.49
MMP2 P08253 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 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
SCHEMBL28719380 1.00 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL29670964 0.94 MAPT (0.48) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL28722560 0.94 MAPT (0.48) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL29670991 0.93 MAPT (0.47) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL28719012 0.93 MAPT (0.47) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL29670977 0.90 EPHX2 (0.50) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL28718271 0.90 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL29670972 0.90 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL28719037 0.89 ALDH1A1 (0.57) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL29670982 0.89 ALDH1A1 (0.57) MAPTSMN1; SMN2NPC1RAB9APKM

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