SCHEMBL9912913

SCHEMBL9912913

O=[N+]([O-])c1ccc(N(c2ccc(-n3c4ccc(N(c5ccc([N+](=O)[O-])cc5)c5ccc6ccccc6c5)cc4c4cc(N(c5ccc([N+](=O)[O-])cc5)c5ccc6ccccc6c5)ccc43)cc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 4/20 0.49
ATM Q13315 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
TLR9 Q9NR96 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MPI P34949 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
CNR2 P34972 4/20 0.38
CNR1 P21554 2/20 0.37
USP14 P54578 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HTT P42858 1/20 0.36
SCN2A Q99250 1/20 0.36
ACHE P22303 2/20 0.36

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
SCHEMBL9912912 0.92 MEN1 (0.43) MEN1KMT2AALDH1A1ATMCRHBP
SCHEMBL9913000 0.90 MEN1 (0.49) MEN1KMT2AALDH1A1ATMCRHBP
SCHEMBL9912894 0.90 ALDH1A1 (0.62) MEN1KMT2AALDH1A1ATMCRHBP
SCHEMBL9912871 0.87 L3MBTL1 (0.36) ALDH1A1ATML3MBTL1MPIMAPT
SCHEMBL9912934 0.85 PDE4A (0.41) MEN1KMT2AALDH1A1ATMCRHBP
SCHEMBL9912901 0.85 ALDH1A1 (0.43) MEN1KMT2AALDH1A1ATMCRHBP
SCHEMBL9912982 0.84 ALDH1A1 (0.49) MEN1KMT2AALDH1A1ATMCRHBP
SCHEMBL9912962 0.84 MEN1 (0.43) MEN1KMT2AALDH1A1ATMCRHBP
SCHEMBL9912979 0.84 KDM4E (0.38) ALDH1A1ATML3MBTL1MPIMAPT
SCHEMBL9912866 0.84 KDM4E (0.38) ALDH1A1ATML3MBTL1MPIMAPT

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
US-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed