SCHEMBL17449581

SCHEMBL17449581

O=[N+]([O-])c1ccccc1C1=CCCc2c1oc1ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
MAPT P10636 5/20 0.39
F2 P00734 1/20 0.39
C1R P00736 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 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
SCHEMBL27408746 0.74 KMT2A (0.41) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL7819424 0.73 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL6923219 0.72 PTPN1 (0.51) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL28158697 0.72 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL7538024 0.69 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL9776964 0.69 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL13049761 0.69 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL17706811 0.68 ALDH1A1 (0.58) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL18714105 0.68 CHRM2 (0.39) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL782755 0.67 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMEN1MAPT

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-2016010380-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-01-21 WO disclosed