SCHEMBL29670975

SCHEMBL29670975

COc1ccc2c(c1)NCCN2C(=O)NC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.46
ADAM17 P78536 3/20 0.43
MMP1 P03956 2/20 0.43
MMP9 P14780 2/20 0.43
HSD17B10 Q99714 2/20 0.41
NOTUM Q6P988 1/20 0.40
GPR6 P46095 2/20 0.40
POLB P06746 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
MAPT P10636 2/20 0.37
DGAT1 O75907 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL28719007 1.00 MMP2 (0.46) MMP2ADAM17MMP1MMP9HSD17B10
SCHEMBL29670976 0.84 MAPT (0.55) MMP2HSD17B10MAPTDGAT1TP53
SCHEMBL28719380 0.84 MAPT (0.55) MMP2HSD17B10MAPTDGAT1TP53
SCHEMBL28937215 0.84 MMP2 (0.52) MMP2ADAM17MMP1MMP9HSD17B10
SCHEMBL29670974 0.84 MMP2 (0.52) MMP2ADAM17MMP1MMP9HSD17B10
SCHEMBL28705641 0.82 MAPT (0.52) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL29670957 0.82 MAPT (0.52) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL26110619 0.81 MAPK1 (0.45) MMP2ADAM17MMP1MMP9HSD17B10
SCHEMBL28722560 0.81 MAPT (0.48) MMP2MAPTDGAT1TP53THRB
SCHEMBL29670982 0.81 ALDH1A1 (0.57) POLBMAPTDGAT1TP53NPC1

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