SCHEMBL31480901

SCHEMBL31480901

CCOC(=O)c1cc(Br)c2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
TSHR P16473 5/20 0.50
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 4/20 0.45
USP2 O75604 3/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL16744311 0.86 MEN1 (0.47) RAB9ATSHRMAPTL3MBTL1MEN1
SCHEMBL6066738 0.84 RAB9A (0.51) RAB9ATSHRMAPTL3MBTL1MEN1
SCHEMBL17113228 0.84 NPC1 (0.48) RAB9ATSHRMAPTL3MBTL1MEN1
SCHEMBL5828129 0.80 SIRT2 (0.49) RAB9ATSHRMAPTL3MBTL1MEN1
SCHEMBL16742363 0.79 KMT2A (0.43) RAB9ATSHRMAPTL3MBTL1MEN1
SCHEMBL31480928 0.79 KMT2A (0.41) RAB9ATSHRMAPTL3MBTL1MEN1
SCHEMBL10749983 0.77 MAPT (0.47) RAB9ATSHRMAPTL3MBTL1MEN1
SCHEMBL25391509 0.77 ALDH1A1 (0.53) RAB9AMAPTMEN1KMT2AHPGD
SCHEMBL16742267 0.76 MEN1 (0.39) RAB9ATSHRMAPTL3MBTL1MEN1
SCHEMBL29394052 0.76 RAB9A (0.73) RAB9ATSHRMAPTL3MBTL1MEN1

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-2025063272-A1 NICOTINAMIDE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL PLANT DISEASE CONTROL AGENT クミアイ化学工業株式会社 2025-03-27 WO disclosed