SCHEMBL5455552

SCHEMBL5455552

O=C(O)c1ccc(C[n+]2c3ccccc3c(-c3c4ccccc4[n+](Cc4ccc(C(=O)O)cc4)c4ccccc34)c3ccccc32)cc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-]

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TAS2R14 Q9NYV8 6/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
TSHR P16473 2/20 0.37
SRD5A2 P31213 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
CXCR3 P49682 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
SCHEMBL5446944 0.91 APOBEC3A (0.41) ALDH1A1HPGDMAPTTAS2R14MEN1
SCHEMBL5446129 0.89 TAS2R14 (0.40) HPGDMAPTTHRBATG4BTAS2R14
SCHEMBL14612641 0.86 ACHE (0.45) ALDH1A1HPGDMAPTTHRBATG4B
SCHEMBL5451571 0.80 ALDH1A1 (0.37) ALDH1A1TAS2R14EPHX2NR1H4TSHR
SCHEMBL14612688 0.76 HDAC6 (0.37) ALDH1A1MAPTEPHX2NR1H4
SCHEMBL17187158 0.71 HPGD (0.41) ALDH1A1HPGDMAPTTDP1MEN1
Benzoic Acid SCHEMBL28244536 0.66 TSHR (0.67) ALDH1A1TDP1TSHRSRD5A2
Triphenylene SCHEMBL28540371 0.65 TSHR (0.72) ALDH1A1SMN1; SMN2TSHRSRD5A2
SCHEMBL51938 0.65 TDP1 (0.55) ALDH1A1MAPTTHRBTDP1MEN1
SCHEMBL29240 0.65 ACHE (0.59) MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070031854-A1 Novel 10,10'-substituted-9,9'-biacridilidine luminescent molecules their preparation and uses KATSILOMETES GEORGE W 2007-02-08 US disclosed
US-20020034828-A1 NOVEL 10,10'-SUBSTITUTED-9,9'-BIACRIDINE LUMINESCENT MOLECULES AND THEIR PREPARATION PIERCE CHEMICAL COMPANY 2002-03-21 US disclosed
EP-1026156-A2 Novel 10, 10'-substituted-9,9'-biacridine luminescent molecules and their preparation PIERCE CHEMICAL COMPANY (US) 2000-08-09 EP disclosed