Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9716374

CCCCCCCCCCCCCCCCCCOCC(C[S+]([O-])CCOCC[n+]1ccsc1)Oc1ncccn1.[Cl-]

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 8)

geneUniProtsupporting neighboursconfidence
PTAFR known ✓ P25105 1/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9716321 0.93
Hydrochloric Acid SCHEMBL9716336 0.93
Hydrochloric Acid SCHEMBL9716349 0.89 KMT2A (0.36) LMNAPTAFRTSHR
Hydrochloric Acid SCHEMBL10385515 0.88 GMNN (0.36) GMNNUSP2LMNAPTAFRMTOR
Hydrochloric Acid SCHEMBL9716371 0.87 KMT2A (0.34) LMNAPTAFRTSHR
Hydrochloric Acid SCHEMBL9716386 0.85 HTT (0.43)
Hydrochloric Acid SCHEMBL9716259 0.85 KDM4A (0.33)
SCHEMBL9716261 0.81 MEN1 (0.40) USP2LMNATSHR
Hydrochloric Acid SCHEMBL10436596 0.81 KDM4E (0.43) USP2LMNA
Hydrochloric Acid SCHEMBL10436556 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3014556-A None JP disclosed
US-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed
JP-H0314556-A LIPID TAKEDA CHEM IND LTD 1991-01-23 JP disclosed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed