SCHEMBL5445964

SCHEMBL5445964

COc1cc(C(=O)O)ccc1C[n+]1c2ccccc2c(-c2c3ccccc3[n+](Cc3ccc(C(=O)O)cc3OC)c3ccccc23)c2ccccc21.O=[N+]([O-])[O-].O=[N+]([O-])[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 12/20 0.45
LTB4R Q15722 4/20 0.45
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
TPMT P51580 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TTR P02766 2/20 0.41
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 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
SCHEMBL5451571 0.83 ALDH1A1 (0.37) ALDH1A1TTRHTTTSHR
SCHEMBL5438292 0.82 PLA2G4A (0.34) PLA2G4ALTB4RALDH1A1MAPTSMN1; SMN2
SCHEMBL14612638 0.78 ACE2 (0.42) ALDH1A1TTRTSHRMRGPRX4
SCHEMBL5448595 0.78 TAS2R14 (0.43) SMN1; SMN2CA1CA2CYP2C9
SCHEMBL5446944 0.76 APOBEC3A (0.41) ALDH1A1MAPTSMN1; SMN2CA1CA2
SCHEMBL2424457 0.70 CA12 (0.65) PLA2G4ACA12CA1CA2CA4
SCHEMBL6859656 0.69 CA12 (0.67) PLA2G4ALTB4RCA12CA1CA2
SCHEMBL2592749 0.69 CA12 (0.67) PLA2G4AALDH1A1CA12CA1CA2
SCHEMBL9516446 0.66 CA12 (0.62) PLA2G4ACA12CA1CA2CA4
SCHEMBL2784039 0.66 CA12 (0.62) PLA2G4ACA12CA1CA2CA4

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