Hydrochloric Acid

SCHEMBL9716251

CCCCCCCCCCCCCCCCCCOCC(C[S+]([O-])CCOCC[N+]1(C)CCCC1)Oc1ncccn1.[Cl-]

nearest known ligand 0.30

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 1)

	gene	UniProt	supporting neighbours	confidence
▸	PLA2G2A	P14555	1/20	0.30

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
SCHEMBL9716261	0.84	MEN1 (0.40)	PLA2G2A
SCHEMBL9716257	0.83	MEN1 (0.43)	PLA2G2A
Hydrochloric Acid SCHEMBL9716408	0.82	PRKD3 (0.45)	—
Hydrochloric Acid SCHEMBL9716322	0.81	PRKD3 (0.44)	—
Hydrochloric Acid SCHEMBL10436748	0.80	PRKD3 (0.44)	—
Hydrochloric Acid SCHEMBL9716434	0.80	PLA2G2A (0.31)	PLA2G2A
SCHEMBL9716359	0.80	HTT (0.35)	PLA2G2A
SCHEMBL9716222	0.80	HTT (0.35)	PLA2G2A
SCHEMBL9716253	0.80	PLA2G2A (0.31)	PLA2G2A
Hydrochloric Acid SCHEMBL9716349	0.80	KMT2A (0.36)	—

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