SCHEMBL18829081

SCHEMBL18829081

CCN(CC)c1ccc2c(-c3ccccc3OO)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ BLM P54132 3/20 0.60
▸ POLB P06746 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ PPARG P37231 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ NCOR2 Q9Y618 1/20 0.60
▸ FPR2 P25090 4/20 0.46
▸ TGM2 P21980 1/20 0.46
▸ THRB P10828 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CHRM1 P11229 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.40
▸ AVPR2 P30518 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A2 P23975 1/20 0.37

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 0.86 MEN1 (0.64) MEN1KMT2ABLMPOLBUSP2
SCHEMBL15704723 0.85 MEN1 (0.61) MEN1KMT2ABLMPOLBUSP2
SCHEMBL20288679 0.85 MEN1 (0.65) MEN1KMT2ABLMPOLBUSP2
SCHEMBL12176171 0.85 MEN1 (0.62) MEN1KMT2ABLMPOLBUSP2
SCHEMBL17552990 0.85 MEN1 (0.63) MEN1KMT2ABLMPOLBUSP2
SCHEMBL11987811 0.85 MEN1 (0.62) MEN1KMT2ABLMPOLBUSP2
SCHEMBL18745214 0.84 MEN1 (0.56) MEN1KMT2ABLMPOLBUSP2
SCHEMBL15459413 0.84 MEN1 (0.64) MEN1KMT2ABLMPOLBUSP2
SCHEMBL12410862 0.84 MEN1 (0.64) MEN1KMT2ABLMPOLBUSP2
SCHEMBL3903552 0.84 MEN1 (0.61) 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
EP-3165541-A1 GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER Wako Pure Chemical Industries, Ltd. (JP) 2017-05-10 — — EP disclosed
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