Trinitrophenol

SCHEMBL23697948

O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.85

Known targets — ChEMBL curated mechanism

The experimentally established mechanism targets of Trinitrophenol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	GPR35	Q9HC97	6/20	0.85

▸	ALDH1A1	P00352	4/20	0.85

▸	MAPK1	P28482	3/20	0.85

▸	HPGD	P15428	2/20	0.85

▸	TP53	P04637	1/20	0.85

▸	TSHR	P16473	1/20	0.85

▸	SMN1; SMN2	Q16637	1/20	0.85

▸	ALOX15	P16050	2/20	0.67

▸	HSD17B10	Q99714	2/20	0.67

▸	TDP1	Q9NUW8	2/20	0.67

▸	HIF1A	Q16665	2/20	0.67

▸	KDM4E	B2RXH2	2/20	0.67

▸	MAPT	P10636	2/20	0.67

▸	MEN1	O00255	1/20	0.67

▸	TTR	P02766	1/20	0.67

▸	CYP1A2	P05177	1/20	0.67

▸	CYP2C9	P11712	1/20	0.67

▸	ALOX12	P18054	1/20	0.67

▸	RECQL	P46063	1/20	0.67

▸	PMP22	Q01453	1/20	0.67

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
2,4-Dinitrophenol SCHEMBL77643	0.92	GPR35 (1.00)	GPR35ALDH1A1MAPK1HPGDTP53
2,4-Dinitrophenol SCHEMBL29361027	0.92	GPR35 (1.00)	GPR35ALDH1A1MAPK1HPGDTP53
2,4-Dinitrophenol SCHEMBL1517938	0.92	GPR35 (1.00)	GPR35ALDH1A1MAPK1HPGDTP53
2,4-Dinitrophenol SCHEMBL4427609	0.90	GPR35 (0.96)	GPR35ALDH1A1MAPK1HPGDTP53
2,4-Dinitrophenol SCHEMBL3499025	0.90	GPR35 (0.96)	GPR35ALDH1A1MAPK1HPGDTP53
2,4-Dinitrophenol SCHEMBL3499026	0.90	GPR35 (0.96)	GPR35ALDH1A1MAPK1HPGDTP53
2,4-Dinitrophenol SCHEMBL10714787	0.90	GPR35 (0.96)	GPR35ALDH1A1MAPK1HPGDTP53
2,4-Dinitrophenol SCHEMBL1525711	0.90	GPR35 (0.96)	GPR35ALDH1A1MAPK1HPGDTP53
2,4-Dinitrophenol SCHEMBL16553313	0.90	GPR35 (0.96)	GPR35ALDH1A1MAPK1HPGDTP53
2,4-Dinitrophenol SCHEMBL31621294	0.90	GPR35 (0.96)	GPR35ALDH1A1MAPK1HPGDTP53

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
EP-3242052-B1	FRICTION MATERIAL	AKEBONO BRAKE IND (JP)	2021-08-04	—	—	EP	claimed