SCHEMBL29670969

SCHEMBL29670969

COc1ccc2c(c1)NCCN2C(=O)NCCCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.46
HSD17B10 Q99714 2/20 0.41
ADAM17 P78536 3/20 0.41
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
GPR6 P46095 2/20 0.40
NOTUM Q6P988 1/20 0.38
LCK P06239 1/20 0.38
MET P08581 1/20 0.38
KDR P35968 1/20 0.38
MAPT P10636 3/20 0.38
DGAT1 O75907 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
HPGDS O60760 1/20 0.37
AVPR1A P37288 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL28719369 1.00 MMP2 (0.46) MMP2HSD17B10ADAM17MMP1MMP9
SCHEMBL28937215 0.88 MMP2 (0.52) MMP2HSD17B10ADAM17MMP1MMP9
SCHEMBL29670974 0.88 MMP2 (0.52) MMP2HSD17B10ADAM17MMP1MMP9
SCHEMBL28719380 0.81 MAPT (0.55) MMP2HSD17B10MAPTDGAT1TP53
SCHEMBL29670976 0.81 MAPT (0.55) MMP2HSD17B10MAPTDGAT1TP53
SCHEMBL29670975 0.80 MMP2 (0.46) MMP2HSD17B10ADAM17MMP1MMP9
SCHEMBL28719007 0.80 MMP2 (0.46) MMP2HSD17B10ADAM17MMP1MMP9
SCHEMBL28705641 0.79 MAPT (0.52) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL29670957 0.79 MAPT (0.52) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL28719037 0.78 ALDH1A1 (0.57) MAPTDGAT1TP53SMN1; SMN2NPC1

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