SCHEMBL5451571

SCHEMBL5451571

O=C(O)c1ccc(C[n+]2c3ccccc3c(-c3c4ccccc4[n+](Cc4ccc(C(=O)O)cc4F)c4ccccc34)c3ccccc32)c(F)c1.O=[N+]([O-])[O-].O=[N+]([O-])[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
RXRA P19793 1/20 0.37
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
CASP6 P55212 1/20 0.35
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
TP53 P04637 1/20 0.34
HCAR3 P49019 2/20 0.34
LMNA P02545 2/20 0.33
TTR P02766 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
RORC P51449 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
AR P10275 1/20 0.33
AKR1C4 P17516 1/20 0.33

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
SCHEMBL5445964 0.83 PLA2G4A (0.45) ALDH1A1TTRHTTTSHR
SCHEMBL14612638 0.81 ACE2 (0.42) ALDH1A1TTRTSHR
SCHEMBL5448132 0.81 PDE10A (0.31)
SCHEMBL5446944 0.72 APOBEC3A (0.41) ALDH1A1RAB9ATAS2R14TSHR
SCHEMBL5448595 0.71 TAS2R14 (0.43) RAB9ATAS2R14AKR1C3AKR1C2
SCHEMBL27688707 0.70 CASP6 (0.46) RXRAEPHX2NR1H4CASP6TP53
SCHEMBL27879453 0.68 RXRA (0.44) ALDH1A1RXRAEPHX2NR1H4CASP6
SCHEMBL7513592 0.68 EPHX2 (0.51) ALDH1A1RXRAEPHX2NR1H4AGTR1
SCHEMBL14612641 0.67 ACHE (0.45) ALDH1A1RXRAEPHX2NR1H4TAS2R14
SCHEMBL17187158 0.66 HPGD (0.41) ALDH1A1LMNAMAPK1TSHR

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-20070031854-A1 Novel 10,10'-substituted-9,9'-biacridilidine luminescent molecules their preparation and uses KATSILOMETES GEORGE W 2007-02-08 US disclosed