SCHEMBL15845488

SCHEMBL15845488

O=[N+]([O-])c1ccccc1-c1cc(Cl)cc2[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.44
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 4/20 0.42
GSK3A P49840 3/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GMNN O75496 1/20 0.42
CCNB2 O95067 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CDK1 P06493 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CCNB1 P14635 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL15596459 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL8488007 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPK1POLB
SCHEMBL15845477 0.80 ALDH1A1 (0.47) GSK3BALDH1A1KMT2AGSK3AMEN1
SCHEMBL15845517 0.79 ALDH1A1 (0.43) GSK3BALDH1A1KMT2AMEN1MAPT
SCHEMBL15845617 0.78 GSK3B (0.44) GSK3BALDH1A1KMT2AGSK3AMEN1
SCHEMBL15845492 0.75 CSNK2A1 (0.43) GSK3BALDH1A1KMT2AGSK3AMEN1
SCHEMBL15845460 0.75 ALDH1A1 (0.41) GSK3BALDH1A1KMT2AGSK3AMEN1
SCHEMBL31735582 0.75 RHEB (0.47) ALDH1A1RHEBCSNK2BCSNK2A1
SCHEMBL15845436 0.73 ALDH1A1 (0.43) GSK3BALDH1A1KMT2AGSK3AMEN1
SCHEMBL15845450 0.73 ALDH1A1 (0.43) GSK3BALDH1A1KMT2AGSK3AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014104664-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-07-03 WO disclosed
WO-2014104664-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-07-03 WO disclosed