SCHEMBL29899652

SCHEMBL29899652

CSc1ccc(Br)cc1COC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CCR5 P51681 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.32
CREBBP Q92793 2/20 0.32
LMNA P02545 1/20 0.32
EP300 Q09472 1/20 0.32
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
SLC6A4 P31645 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL23647685 1.00 MAPK1 (0.36) MAPK1KDM4CNPC1RAB9ANPY1R
SCHEMBL29899644 0.84 KDM4C (0.35) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL23647719 0.84 KDM4C (0.35) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL15639233 0.82 MAPK1 (0.44) MAPK1KDM4CNPC1RAB9ANPY1R
SCHEMBL15633486 0.82 MAPK1 (0.44) MAPK1KDM4CNPC1RAB9ANPY1R
SCHEMBL23665798 0.82 KDM4C (0.41) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL24252783 0.78 KDM4C (0.38) MAPK1KDM4CNPC1RAB9ANPY1R
SCHEMBL507078 0.78 NAAA (0.46) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL30452411 0.78 KDM4C (0.38) MAPK1KDM4CNPC1RAB9ANPY1R
SCHEMBL4541066 0.74 KDM4C (0.38) KDM4CNPC1RAB9AMEN1KMT2A

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-115151553-B Boric acid derivatives 首药控股(北京)股份有限公司 2025-06-13 CN disclosed
CN-115151553-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-10-04 CN disclosed