SCHEMBL6920000

SCHEMBL6920000

O=C(NCCn1cccn1)Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.41
MAPT P10636 2/20 0.39
LMNA P02545 3/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
FAAH O00519 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
THRB P10828 2/20 0.36
NAMPT P43490 1/20 0.36
HSPB1 P04792 1/20 0.36
CYP2C19 P33261 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 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
SCHEMBL6923840 0.84 MGLL (0.59) MGLLMAPTKMT2AGAAFAAH
SCHEMBL6829032 0.82 KMT2A (0.40) LMNAKMT2AALDH1A1MEN1THRB
SCHEMBL6645491 0.79 IDO1 (0.43) MAPTLMNAKMT2AGAAALDH1A1
SCHEMBL6644748 0.76 SMN1; SMN2 (0.52) MAPTLMNAKMT2AGAAALDH1A1
SCHEMBL6919997 0.74 CYP1A2 (0.48) MAPTLMNAKMT2AGAAALDH1A1
SCHEMBL6645341 0.70 MAPT (0.54) MAPTKMT2AALDH1A1MEN1CYP2C19
SCHEMBL6831063 0.70 RAB9A (0.45) MGLLMAPTLMNAKMT2AGAA
SCHEMBL9368057 0.70 MGLL (0.54) MGLLMAPTLMNAKMT2AGAA
SCHEMBL4829103 0.69 CYP19A1 (0.57) KMT2A
SCHEMBL27799597 0.68 CYP2C19 (0.55) MAPTLMNAKMT2AGAAALDH1A1

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-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed