SCHEMBL15821069

SCHEMBL15821069

O=[N+]([O-])c1ccccc1-c1cccc2c1ccc1ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.65
ALDH1A1 P00352 3/20 0.65
TDP1 Q9NUW8 3/20 0.52
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
GUSB P08236 1/20 0.46
F2 P00734 1/20 0.46
C1R P00736 1/20 0.46
PARP1 P09874 1/20 0.45
TSHR P16473 2/20 0.45
S100A4 P26447 2/20 0.45
PTPRC P08575 1/20 0.45
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
HNF4A P41235 1/20 0.44
CASP6 P55212 1/20 0.44
LMNA P02545 1/20 0.43
APAF1 O14727 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL17841980 1.00 HPRT1 (0.65) HPRT1ALDH1A1TDP1MEN1KMT2A
SCHEMBL29848512 0.91 ALDH1A1 (0.71) HPRT1ALDH1A1TDP1MEN1KMT2A
SCHEMBL30443747 0.91 ALDH1A1 (0.71) HPRT1ALDH1A1TDP1MEN1KMT2A
SCHEMBL31725 0.91 ALDH1A1 (0.71) HPRT1ALDH1A1TDP1MEN1KMT2A
SCHEMBL17841971 0.91 HPRT1 (0.58) HPRT1ALDH1A1TDP1MEN1KMT2A
SCHEMBL2627610 0.90 HPRT1 (0.71) HPRT1ALDH1A1TDP1MEN1KMT2A
SCHEMBL22211955 0.89 ALDH1A1 (0.59) HPRT1ALDH1A1TDP1MEN1KMT2A
SCHEMBL1556587 0.87 ALDH1A1 (0.78) HPRT1ALDH1A1TDP1PARP1TSHR
SCHEMBL31677740 0.87 ALDH1A1 (0.78) HPRT1ALDH1A1TDP1PARP1TSHR
SCHEMBL29789001 0.87 ALDH1A1 (0.78) HPRT1ALDH1A1TDP1PARP1TSHR

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-2014098447-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-06-26 WO disclosed
WO-2014098447-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-06-26 WO disclosed