SCHEMBL19429421

SCHEMBL19429421

O=[N+]([O-])c1c(-c2cc3oc4ccccc4c3c3ccccc23)ccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 3/20 0.49
CYP3A4 P08684 1/20 0.47
MAPT P10636 6/20 0.47
KMT2A Q03164 5/20 0.47
HTT P42858 5/20 0.47
MEN1 O00255 4/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
HPRT1 P00492 1/20 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
SCHEMBL18086410 0.77 ALDH1A1 (0.59) HNF4AMAPTKMT2AMEN1LMNA
SCHEMBL19660707 0.75 HNF4A (0.52) HNF4ACYP3A4MAPTKMT2AHTT
SCHEMBL19428578 0.75 CYP3A4 (0.46) HNF4ACYP3A4MAPTKMT2AHTT
SCHEMBL17742495 0.75 TSHR (0.59) HNF4ACYP3A4MAPTKMT2AHTT
SCHEMBL19636325 0.73 HNF4A (0.46) HNF4ACYP3A4MAPTKMT2AHTT
SCHEMBL19573584 0.73 HNF4A (0.46) HNF4ACYP3A4MAPTKMT2AHTT
SCHEMBL23109699 0.73 CYP1A2 (0.50) CYP3A4MAPTKMT2AMEN1ALDH1A1
SCHEMBL21155173 0.72 MAPT (0.43) HNF4AMAPTKMT2AHTTMEN1
SCHEMBL25873192 0.72 MAPT (0.45) HNF4ACYP3A4MAPTKMT2AHTT
SCHEMBL17931959 0.71 L3MBTL1 (0.40) CYP3A4MAPTKMT2AMEN1ALDH1A1

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-2017171397-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2017-10-05 WO disclosed