SCHEMBL31310092

SCHEMBL31310092

COC(=O)c1cc(C)nc(C)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
HPGD P15428 3/20 0.49
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.42
BACE1 P56817 1/20 0.41
MEN1 O00255 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HSD17B10 Q99714 2/20 0.40
SPR P35270 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL4733393 0.83 KDM4E (0.45) KDM4EHPGDALDH1A1GAAHSD17B10
SCHEMBL29076894 0.81 KDM4E (0.51) KDM4EHPGDALDH1A1L3MBTL1TDP1
SCHEMBL31264092 0.79 MEN1 (0.43) KDM4EHPGDALDH1A1KMT2AGAA
SCHEMBL31310191 0.79 KDM4E (0.56) KDM4EHPGDALDH1A1L3MBTL1TDP1
SCHEMBL25360994 0.76 KDM4E (0.54) KDM4EHPGDALDH1A1L3MBTL1TDP1
SCHEMBL31752906 0.76 KDM4E (0.47) KDM4EHPGDALDH1A1L3MBTL1TDP1
SCHEMBL6119419 0.75 XDH (0.45) KDM4EHPGDALDH1A1TDP1GAA
SCHEMBL18420706 0.75 NPSR1 (0.44) KDM4EHPGDALDH1A1TDP1KMT2A
SCHEMBL31447500 0.75 KDM4E (0.46) KDM4EHPGDALDH1A1L3MBTL1TDP1
SCHEMBL28381224 0.73 GAA (0.50) KDM4EHPGDALDH1A1L3MBTL1KMT2A

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-120476110-B Nitrogen-containing heterocyclic derivative inhibitor, preparation method and application thereof SHANGHAI HANSOH BIOMEDICAL Co.,Ltd. (CN) 2026-05-26 CN disclosed
CN-119264042-A Cyclopentane derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-01-07 CN disclosed