SCHEMBL28313528

SCHEMBL28313528

NNC(=O)c1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)n1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 6/20 0.80
▸ MARS1 P56192 4/20 0.62
▸ SLC16A3 O15427 2/20 0.54
▸ SLC16A1 P53985 2/20 0.54
▸ MCTS1 Q9ULC4 2/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMPD1 P17405 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MGLL Q99685 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ MME P08473 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MDM2 Q00987 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL27706390 0.79 MAPT (0.56) MALT1MARS1MEN1KMT2AMME
SCHEMBL117498 0.77 MARS1 (1.00) MALT1MARS1
SCHEMBL27851807 0.76 MALT1 (0.49) MALT1MARS1MEN1KMT2A
SCHEMBL4429627 0.74 MALT1 (0.55) MALT1MARS1SLC16A3SLC16A1MCTS1
SCHEMBL15579547 0.74 MALT1 (0.55) MALT1MARS1MEN1KMT2ASMPD1
SCHEMBL18300791 0.73 SLC16A3 (0.61) MALT1MARS1SLC16A3SLC16A1MCTS1
SCHEMBL29819771 0.73 SLC16A3 (0.61) MALT1MARS1SLC16A3SLC16A1MCTS1
SCHEMBL976287 0.72 MALT1 (0.56) MALT1MARS1MEN1KMT2ASMPD1
SCHEMBL2552942 0.72 GRM5 (0.61) MALT1MEN1KMT2ASMPD1MME
SCHEMBL25410771 0.72 MARS1 (0.62) MALT1MARS1SLC16A3SLC16A1MCTS1

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-110156708-A A kind of compound substitution heterocycle class and its preparation method and application containing acylhydrazone skeleton 中国药科大学 2019-08-23 — — CN disclosed
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