SCHEMBL15845477

SCHEMBL15845477

O=[N+]([O-])c1ccccc1-c1cc(Cl)c2cc[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
HSD11B1 P28845 1/20 0.41
FTO Q9C0B1 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
F2 P00734 1/20 0.39
C1R P00736 1/20 0.39
GSK3B P49841 3/20 0.38
GSK3A P49840 2/20 0.38
EIF4E P06730 1/20 0.38
MAOB P27338 1/20 0.37
FASN P49327 1/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
RHEB Q15382 1/20 0.37
GMNN O75496 1/20 0.37
CCNB2 O95067 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
SCHEMBL15845488 0.80 GSK3B (0.44) ALDH1A1TDP1HSD11B1KMT2AMEN1
SCHEMBL15845435 0.78 IKBKB (0.48) ALDH1A1TDP1HSD11B1KMT2AMEN1
SCHEMBL15477943 0.76 ALDH1A1 (0.51) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL31735872 0.76 HSD17B10 (0.42) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL20476739 0.75 ALDH1A1 (0.58) ALDH1A1TDP1HSD11B1MAPTGSK3B
SCHEMBL15845517 0.75 ALDH1A1 (0.43) ALDH1A1TDP1HSD11B1KMT2AMEN1
SCHEMBL15801999 0.75 ALDH1A1 (0.46) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL15845492 0.74 CSNK2A1 (0.43) ALDH1A1TDP1HSD11B1KMT2AMEN1
SCHEMBL15617055 0.74 ALDH1A1 (0.49) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL15845460 0.74 ALDH1A1 (0.41) ALDH1A1TDP1HSD11B1KMT2AMEN1

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