SCHEMBL15550226

SCHEMBL15550226

O=[N+]([O-])c1ccccc1-c1ccc2c3c(n(-c4ccccc4)c2c1)CCCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 5/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.37
MYC P01106 1/20 0.36
MEN1 O00255 3/20 0.35
APAF1 O14727 2/20 0.35
MAPK1 P28482 2/20 0.35
FABP4 P15090 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
MAPK10 P53779 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL15547528 0.91 ALDH1A1 (0.43) ALDH1A1TDP1MAPTKMT2ASMN1; SMN2
SCHEMBL15548005 0.82 FABP4 (0.57) MAPTKMT2ASMN1; SMN2MEN1APAF1
SCHEMBL31907 0.80 ALDH1A1 (0.50) ALDH1A1TDP1MAPTKMT2AHTT
SCHEMBL16862766 0.78 ALDH1A1 (0.48) ALDH1A1TDP1MAPTKMT2AHTT
SCHEMBL16932047 0.77 ALDH1A1 (0.47) ALDH1A1TDP1MAPTKMT2AHTT
SCHEMBL15618117 0.76 ALDH1A1 (0.49) ALDH1A1TDP1MAPTKMT2AHTT
SCHEMBL15549306 0.75 CA1 (0.51) MAPTKMT2ASMN1; SMN2MEN1APAF1
SCHEMBL15741182 0.75 ALDH1A1 (0.44) ALDH1A1TDP1KMT2AHTTMEN1
SCHEMBL19382943 0.74 ALDH1A1 (0.43) ALDH1A1TDP1MAPTKMT2ASMN1; SMN2
SCHEMBL15741254 0.74 ALDH1A1 (0.43) ALDH1A1TDP1KMT2AHTTMEN1

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-2014014180-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-01-23 WO disclosed
WO-2014014180-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-01-23 WO disclosed