SCHEMBL9912962

SCHEMBL9912962

O=[N+]([O-])c1cccc(N(c2cc(N(c3cccc([N+](=O)[O-])c3)c3ccc4ccccc4c3)cc(-n3c4ccc(N(c5ccccc5)c5cccc([N+](=O)[O-])c5)cc4c4cc(N(c5cccc([N+](=O)[O-])c5)c5ccc6ccccc6c5)ccc43)c2)c2ccc3ccccc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 3/20 0.43
CRHBP P24387 1/20 0.43
ATM Q13315 1/20 0.43
CRHR2 Q13324 1/20 0.43
TLR9 Q9NR96 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
SIGMAR1 Q99720 1/20 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
SCHEMBL9912934 0.92 PDE4A (0.41) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL9912912 0.92 MEN1 (0.43) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL9912893 0.86 MEN1 (0.51) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL9912943 0.86 KDM4E (0.33) ALDH1A1ATML3MBTL1MAPTLMNA
SCHEMBL9912966 0.85 SIGMAR1 (0.41) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL9912913 0.84 MEN1 (0.49) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL31528399 0.82 MAPT (0.48) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL9912923 0.81 KDM4E (0.36) ALDH1A1ATML3MBTL1MAPTLMNA
SCHEMBL9912951 0.81 HTT (0.39) ALDH1A1L3MBTL1MAPTNPSR1TDP1
SCHEMBL9912906 0.80 SIGMAR1 (0.41) MEN1KMT2AALDH1A1CRHBPATM

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
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
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