SCHEMBL12176171

SCHEMBL12176171

CCN(CC)c1ccc2c(-c3ccccc3N)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ BLM P54132 2/20 0.62
▸ POLB P06746 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ PPARG P37231 1/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.62
▸ NCOR2 Q9Y618 1/20 0.62
▸ FPR2 P25090 4/20 0.48
▸ THRB P10828 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TGM2 P21980 1/20 0.47
▸ TLR7 Q9NYK1 1/20 0.43
▸ CHRM1 P11229 1/20 0.42
▸ AVPR2 P30518 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL14901855 0.89 MEN1 (0.64) MEN1KMT2ABLMPOLBUSP2
SCHEMBL20288679 0.88 MEN1 (0.65) MEN1KMT2ABLMPOLBUSP2
SCHEMBL15459413 0.87 MEN1 (0.64) MEN1KMT2ABLMPOLBUSP2
SCHEMBL12410862 0.86 MEN1 (0.64) MEN1KMT2ABLMPOLBUSP2
SCHEMBL24784720 0.86 MEN1 (0.63) MEN1KMT2ABLMPOLBUSP2
SCHEMBL14285354 0.86 MEN1 (0.61) MEN1KMT2ABLMPOLBUSP2
SCHEMBL13015811 0.86 MEN1 (0.61) MEN1KMT2ABLMPOLBUSP2
SCHEMBL15704723 0.86 MEN1 (0.61) MEN1KMT2ABLMPOLBUSP2
SCHEMBL17552990 0.85 MEN1 (0.63) MEN1KMT2ABLMPOLBUSP2
SCHEMBL11987811 0.85 MEN1 (0.62) MEN1KMT2ABLMPOLBUSP2

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
WO-2011139275-A1 METHOD OF DETECTING NERVE AGENTS USING NOVEL ASSAY AGENTS MCLAB (US) 2011-11-10 — — WO disclosed
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