SCHEMBL29670972

SCHEMBL29670972

COC(=O)c1ccc2c(c1)NCCN2C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
MAOB P27338 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 3/20 0.48
THRB P10828 1/20 0.48
LMNA P02545 1/20 0.45
BLM P54132 1/20 0.44
GPR6 P46095 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL28718271 1.00 MAPT (0.49) MAPTSMN1; SMN2RAB9ANPC1PKM
SCHEMBL29670979 0.91 MAPT (0.47) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL28715924 0.91 MAPT (0.47) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL28719380 0.90 MAPT (0.55) MAPTSMN1; SMN2RAB9ANPC1PKM
SCHEMBL29670976 0.90 MAPT (0.55) MAPTSMN1; SMN2RAB9ANPC1PKM
SCHEMBL28722560 0.84 MAPT (0.48) MAPTSMN1; SMN2RAB9ANPC1PKM
SCHEMBL29670964 0.84 MAPT (0.48) MAPTSMN1; SMN2RAB9ANPC1PKM
SCHEMBL28719012 0.83 MAPT (0.47) MAPTSMN1; SMN2RAB9ANPC1PKM
SCHEMBL29670991 0.83 MAPT (0.47) MAPTSMN1; SMN2RAB9ANPC1PKM
SCHEMBL29670977 0.83 EPHX2 (0.50) MAPTSMN1; SMN2RAB9ANPC1PKM

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