SCHEMBL5446129

O=C(O)c1ccc(C[n+]2c3ccccc3c(-c3c4ccccc4[n+](Cc4ccc(C(=O)O)cc4)c4ccc(F)cc34)c3cc(F)ccc32)cc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-]

nearest known ligand 0.40

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TAS2R14	Q9NYV8	7/20	0.40

▸	PTGER4	P35408	6/20	0.36

▸	PTGER2	P43116	1/20	0.36

▸	NR4A2	P43354	2/20	0.34

▸	PYGL	P06737	1/20	0.34

▸	MAPT	P10636	1/20	0.34

▸	THRB	P10828	1/20	0.34

▸	HPGD	P15428	1/20	0.34

▸	ATG4B	Q9Y4P1	1/20	0.34

▸	ABL1	P00519	1/20	0.34

▸	BCR	P11274	1/20	0.34

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.

Compound	similarity	top predicted	shared targets
SCHEMBL5455552	0.89	ALDH1A1 (0.40)	TAS2R14MAPTTHRBHPGDATG4B
SCHEMBL5448595	0.84	TAS2R14 (0.43)	TAS2R14
SCHEMBL5446944	0.81	APOBEC3A (0.41)	TAS2R14MAPTHPGD
SCHEMBL5451571	0.78	ALDH1A1 (0.37)	TAS2R14
SCHEMBL14612641	0.77	ACHE (0.45)	TAS2R14MAPTTHRBHPGDATG4B
SCHEMBL5445964	0.71	PLA2G4A (0.45)	MAPT
SCHEMBL14612638	0.68	ACE2 (0.42)	HPGD
SCHEMBL14612688	0.68	HDAC6 (0.37)	MAPT
SCHEMBL17332097	0.60	BCL2L1 (0.81)	NR4A2
SCHEMBL12243325	0.59	BCL2L1 (0.65)	TAS2R14PTGER4PTGER2NR4A2

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20070031854-A1	Novel 10,10'-substituted-9,9'-biacridilidine luminescent molecules their preparation and uses	KATSILOMETES GEORGE W	2007-02-08	—	—	US	disclosed