SCHEMBL30954728

SCHEMBL30954728

OC1(c2cc(Br)ccc2COC2CCCCO2)CCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ANPEP P15144 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
HSD11B1 P28845 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CREBBP Q92793 2/20 0.31
CCR5 P51681 1/20 0.30
EP300 Q09472 1/20 0.30

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
SCHEMBL31394154 0.79 MAP3K14 (0.36) MEN1KMT2AKDM4CL3MBTL1ICAM1
SCHEMBL507078 0.78 NAAA (0.46) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL24252783 0.78 KDM4C (0.38) MEN1KMT2AKDM4CL3MBTL1MAPK1
SCHEMBL30452411 0.78 KDM4C (0.38) MEN1KMT2AKDM4CL3MBTL1MAPK1
SCHEMBL15639233 0.77 MAPK1 (0.44) MEN1KMT2AKDM4CL3MBTL1MAPK1
SCHEMBL15633486 0.77 MAPK1 (0.44) MEN1KMT2AKDM4CL3MBTL1MAPK1
SCHEMBL28953084 0.75 MEN1 (0.35) MEN1KMT2AKDM4CL3MBTL1ICAM1
SCHEMBL29790952 0.75 MEN1 (0.35) MEN1KMT2AKDM4CL3MBTL1ICAM1
SCHEMBL29899652 0.72 MAPK1 (0.36) MEN1KMT2AKDM4CL3MBTL1MAPK1
SCHEMBL23647685 0.72 MAPK1 (0.36) MEN1KMT2AKDM4CL3MBTL1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024125488-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 浙江海正药业股份有限公司 2024-06-20 WO disclosed