SCHEMBL29670964

SCHEMBL29670964

COc1ccc2c(c1)NCCN2C(=O)Nc1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
PKM P14618 1/20 0.48
MAOB P27338 1/20 0.48
TP53 P04637 2/20 0.47
THRB P10828 1/20 0.47
KDR P35968 3/20 0.47
LCK P06239 1/20 0.47
MET P08581 1/20 0.47
TEK Q02763 1/20 0.47
SCN9A Q15858 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MMP2 P08253 1/20 0.44
DGAT1 O75907 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL28722560 1.00 MAPT (0.48) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL28719380 0.94 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL29670976 0.94 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL29670991 0.90 MAPT (0.47) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL28719012 0.90 MAPT (0.47) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL29670977 0.87 EPHX2 (0.50) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL29670979 0.86 MAPT (0.47) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL28715924 0.86 MAPT (0.47) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL29670982 0.86 ALDH1A1 (0.57) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL28719037 0.86 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