Magnesium

Magnesium

SCHEMBL27976597

BrCCCCCCCCOc1cccc(-c2c3nc(c(-c4cccc(OCCCCCCCCBr)c4)c4ccc([nH]4)c(-c4cccc(OCCCCCCCCBr)c4)c4nc(c(-c5cccc(OCCCCCCCCBr)c5)c5ccc2[nH]5)C=C4)C=C3)c1.[Mg]

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ HDAC3 O15379 6/20 0.39
▸ HDAC4 P56524 6/20 0.39
▸ HDAC1 Q13547 6/20 0.39
▸ HDAC7 Q8WUI4 6/20 0.39
▸ HDAC2 Q92769 6/20 0.39
▸ HDAC10 Q969S8 6/20 0.39
▸ HDAC11 Q96DB2 6/20 0.39
▸ HDAC8 Q9BY41 6/20 0.39
▸ HDAC6 Q9UBN7 6/20 0.39
▸ HDAC9 Q9UKV0 6/20 0.39
▸ HDAC5 Q9UQL6 6/20 0.39
▸ TOP1 P11387 1/20 0.39
▸ TERT O14746 3/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ CYCS P99999 3/20 0.38
▸ STAT3 P40763 1/20 0.36
▸ STAT1 P42224 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
SCHEMBL14806849 0.99 MAOA (0.40) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL14806867 0.99 MAOA (0.40) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL14806858 0.98 MAOA (0.40) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL14806856 0.98 MAOA (0.40) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL15939977 0.98 MAOA (0.40) MAOAMAOBHDAC3HDAC4HDAC1
Zinc Ion SCHEMBL15899296 0.98 MAOA (0.40) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL584884 0.87 TSHR (0.47) TERTPPARGPPARA
SCHEMBL27814700 0.84 TOP1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8909559 0.84 TERT (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6843058 0.84 CYP1A2 (0.48) TERT

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-103987714-A Metal porphyrin complex, method for producing same, carbon dioxide immobilization catalyst comprising same, and method for producing cyclic carbonic acid ester. UNIV OKAYAMA NAT UNIV CORP 2014-08-13 — — CN disclosed
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