SCHEMBL20458576

SCHEMBL20458576

CCN(CC)c1cccc(C)c1-c1ccccc1NC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MGLL Q99685 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ GAA P10253 3/20 0.42
▸ BCL9 O00512 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CHRM3 P20309 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38

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
SCHEMBL20436303 0.92 MGLL (0.46) KMT2AMGLLMEN1GAABCL9
SCHEMBL20441464 0.74 BCL9 (0.50) KMT2AMGLLMEN1GAABCL9
SCHEMBL10490009 0.74 GAA (0.51) KMT2AMGLLMEN1GAABCL9
SCHEMBL8239760 0.72 SMN1; SMN2 (0.56) MGLLGAABCL9CTNNB1HPGD
SCHEMBL14704102 0.72 GAA (0.53) KMT2AMGLLMEN1GAABCL9
SCHEMBL4183001 0.71 MAPT (0.57) KMT2AMGLLMEN1GAABCL9
Hydrochloric Acid SCHEMBL4182996 0.70 MAPT (0.56) KMT2AMGLLMEN1GAABCL9
SCHEMBL13397217 0.70 GAA (0.71) KMT2AMEN1GAAMAPTATM
SCHEMBL4430377 0.69 KMT2A (0.66) KMT2AMGLLMEN1GAABCL9
SCHEMBL132758 0.69 GAA (0.51) KMT2AMGLLMEN1GAABCL9

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-3358346-A1 ENANTIOMER ANALYSIS METHOD Ajinomoto Co., Inc. (JP) 2018-08-08 — — EP disclosed
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