SCHEMBL30641332

SCHEMBL30641332

CCOC(=O)c1cc(Cl)nc(Br)c1N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAOB P27338 1/20 0.43
ACHE P22303 4/20 0.43
IKBKB O14920 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42
ALOX15 P16050 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL17840873 1.00 KDM4E (0.44) KDM4EHSD17B10CYP4F2CYP4A11ALDH1A1
SCHEMBL1841951 0.85 KDM4E (0.47) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL29522769 0.85 KDM4E (0.47) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL17840704 0.85 KDM4E (0.47) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL536169 0.83 KDM4E (0.50) KDM4EHSD17B10ALDH1A1GAASMN1; SMN2
SCHEMBL26674519 0.77 ALDH1A1 (0.43) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL31437236 0.77 ALDH1A1 (0.43) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL31330687 0.76 KDM4E (0.39) KDM4EALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL535620 0.76 KDM4E (0.39) KDM4EALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL25246581 0.76 SMN1; SMN2 (0.47) KDM4ECYP4F2CYP4A11ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119894872-A Heteroarenes, pharmaceutical compositions containing heteroarenes, and methods of use thereof 修复治疗公司 2025-04-25 CN disclosed
EP-4526293-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME Repare Therapeutics Inc. (CA) 2025-03-26 EP disclosed
WO-2023220831-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-23 WO disclosed