SCHEMBL29428436

SCHEMBL29428436

Cc1ccc(C(Br)C(Br)C(=O)N(C)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 5/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ TRPM8 Q7Z2W7 2/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ LIPE Q05469 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL29428441 0.91 KMT2A (0.46) HDAC1KMT2ACA12CA9TACR1
SCHEMBL28838323 0.87 LMNA (0.44) HDAC1LMNAKMT2AMEN1ACHE
SCHEMBL28838325 0.83 TACR1 (0.51) HDAC1TACR1LIPE
SCHEMBL29428448 0.82 ALDH1A1 (0.53) LMNAKMT2AMEN1KEAP1NFE2L2
SCHEMBL29428440 0.76 TDP1 (0.46) TRPM8
SCHEMBL19412474 0.75 ALDH1A1 (0.41) LMNAKEAP1NFE2L2ACHEPOLB
SCHEMBL11056951 0.74 CES2 (0.48) LMNAKMT2AMEN1KEAP1NFE2L2
SCHEMBL8706846 0.74 CES2 (0.53) HDAC1LMNAKMT2ACA12CA9
SCHEMBL7497496 0.73 KMT2A (0.46) HDAC1LMNAKMT2ACA12CA9
SCHEMBL29428437 0.72 TDP1 (0.41) HDAC1KMT2ATACR1KDM4E

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
CN-110256274-B Method for preparing N-methyl-N-phenyl-2, 3-dibromo-3-substituted phenylpropionamide compound 安徽理工大学 2022-02-15 — — CN disclosed
Send feedback