SCHEMBL28140534

SCHEMBL28140534

Cc1c(-c2ccccn2)c2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3.[Mn]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 9/20 0.43
▸ METAP2 P50579 8/20 0.43
▸ METAP1 P53582 6/20 0.43
▸ NPC1 O15118 6/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ PKM P14618 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGD P15428 2/20 0.38
▸ MTOR P42345 1/20 0.38
▸ RUNX1 Q01196 1/20 0.37
▸ OPRK1 P41145 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL28347682 0.99 CBFB (0.44) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL9582382 0.89 NPC1 (0.44) CBFBMETAP2METAP1NPC1RAB9A
Dipyridyl SCHEMBL28203643 0.84 METAP1 (0.48) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL3522525 0.83 CBFB (0.40) CBFBMETAP2METAP1NPC1RAB9A
Dipyridyl SCHEMBL28212071 0.83 METAP1 (0.50) CBFBMETAP2METAP1NPC1RAB9A
Dipyridyl SCHEMBL5810894 0.81 METAP1 (0.48) CBFBMETAP2METAP1NPC1RAB9A
Dipyridyl SCHEMBL28185462 0.81 METAP1 (0.48) CBFBMETAP2METAP1NPC1RAB9A
Dipyridyl SCHEMBL28212025 0.81 METAP1 (0.48) CBFBMETAP2METAP1NPC1RAB9A
Dipyridyl SCHEMBL28196861 0.81 METAP1 (0.48) CBFBMETAP2METAP1NPC1RAB9A
Dipyridyl SCHEMBL28200634 0.81 METAP1 (0.48) CBFBMETAP2METAP1NPC1RAB9A

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-104801344-B Catalyst of catalysis cyclohexane oxidation and preparation method thereof 郑州轻工业学院 2017-03-15 — — CN disclosed
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