2,4-Dinitrophenol

SCHEMBL3799153

CCCCCCCCCCCCOS(=O)(=O)O.O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1.O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-].O=[N+]([O-])c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

S1PR1 S1PR2 S1PR3 S1PR4 S1PR5 rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of 2,4-Dinitrophenol. 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	3/20	0.36

▸	MAPK1	P28482	3/20	0.36

▸	ALDH1A1	P00352	2/20	0.36

▸	SMN1; SMN2	Q16637	2/20	0.36

▸	TP53	P04637	1/20	0.36

▸	HPGD	P15428	1/20	0.36

▸	TSHR	P16473	1/20	0.36

▸	CYP19A1	P11511	4/20	0.36

▸	ESR1	P03372	1/20	0.36

▸	LMNA	P02545	3/20	0.34

▸	MAPT	P10636	3/20	0.34

▸	TDP1	Q9NUW8	2/20	0.34

▸	MEN1	O00255	2/20	0.34

▸	KMT2A	Q03164	2/20	0.34

▸	XBP1	P17861	1/20	0.34

▸	HTT	P42858	1/20	0.33

▸	NPSR1	Q6W5P4	1/20	0.33

▸	CACNA1F	O60840	1/20	0.31

▸	CACNA1D	Q01668	1/20	0.31

▸	CACNA1S	Q13698	1/20	0.31

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 SCHEMBL16980	0.84	GPR35 (0.52)	GPR35MAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL3799155	0.82	GPR35 (0.55)	GPR35MAPK1TSHRCYP19A1ESR1
SCHEMBL3799151	0.75	GPR35 (0.56)	GPR35MAPK1TSHRCYP19A1ESR1
2,4-Dinitrophenol SCHEMBL7030615	0.71	GPR35 (0.72)	GPR35MAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL8959273	0.71	GPR35 (0.72)	GPR35MAPK1ALDH1A1SMN1; SMN2TP53
2,4-Dinitrophenol SCHEMBL27991650	0.70	GPR35 (0.70)	GPR35MAPK1ALDH1A1SMN1; SMN2TP53
Trinitrophenol SCHEMBL9314438	0.69	GPR35 (0.68)	GPR35MAPK1ALDH1A1SMN1; SMN2TP53
Trinitrophenol SCHEMBL10727440	0.68	GPR35 (0.74)	GPR35MAPK1ALDH1A1SMN1; SMN2TP53
2,4-Dinitrophenol SCHEMBL5866337	0.68	GPR35 (0.79)	GPR35MAPK1ALDH1A1SMN1; SMN2TP53
Phosphoric Acid SCHEMBL28062599	0.67	S1PR3 (0.44)	TSHRESR1MEN1KMT2A

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2190562-A2	ENRICHED NANOSTRUCTURE COMPOSITION	Do-Coop Technologies Ltd (IL)	2010-06-02	—	—	EP	disclosed
WO-2009024976-A2	ENRICHED NANOSTRUCTURE COMPOSITION	DO-COOP TECHNOLOGIES LTD. (IL)	2009-02-26	—	—	WO	disclosed