Hydrochloric Acid

SCHEMBL9716259

CCCCCCCCCCCCCCCCCCOCC(C[S+]([O-])CCOCC[n+]1ccc(N(C)C)cc1)Oc1ncccn1.[Cl-]

nearest known ligand 0.33

Known targets — ChEMBL curated mechanism

ACHE BDKRB2 CHRM1 CHRM2 CHRM3 CHRNA1 CHRNB1 CHRND CHRNE CHRNG GUCY1A1 GUCY1A2 GUCY1B1 GUCY1B2 NAMPT PTAFR SLC10A2 SLC6A2 SLC6A3 TACR1 dacA dacB dacC ftsI mrcA mrcB mrdA

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

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	KDM4A	O75164	3/20	0.33

▸	KDM2A	Q9Y2K7	3/20	0.33

▸	CHKA	P35790	2/20	0.32

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
Hydrochloric Acid SCHEMBL9716349	0.90	KMT2A (0.36)	—
Hydrochloric Acid SCHEMBL9716371	0.88	KMT2A (0.34)	—
Hydrochloric Acid SCHEMBL9716386	0.86	HTT (0.43)	—
Hydrochloric Acid SCHEMBL9716374	0.85	GMNN (0.34)	—
Hydrochloric Acid SCHEMBL9716418	0.81	KMT2A (0.35)	—
Hydrochloric Acid SCHEMBL9716279	0.81	GGPS1 (0.35)	—
SCHEMBL9716261	0.81	MEN1 (0.40)	—
Hydrochloric Acid SCHEMBL10436596	0.81	KDM4E (0.43)	—
SCHEMBL9716257	0.80	MEN1 (0.43)	—
Hydrochloric Acid SCHEMBL9716275	0.80	HTT (0.42)	—

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-5103007-A	Antitumor agents	TAKEDA CHEMICAL INDUSTRIES, LTD. (JP)	1992-04-07	—	—	US	disclosed