Hydrochloric Acid

Hydrochloric Acid

SCHEMBL29883333

C[N+](C)(C)CCCOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4cccc(OCCC[N+](C)(C)C)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1.[Cl-].[Cl-]

nearest known ligand 0.51

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 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.51
▸ STAT1 P42224 1/20 0.51
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ HDAC3 O15379 6/20 0.33
▸ HDAC4 P56524 6/20 0.33
▸ HDAC1 Q13547 6/20 0.33
▸ HDAC7 Q8WUI4 6/20 0.33
▸ HDAC2 Q92769 6/20 0.33
▸ HDAC10 Q969S8 6/20 0.33
▸ HDAC11 Q96DB2 6/20 0.33
▸ HDAC8 Q9BY41 6/20 0.33
▸ HDAC6 Q9UBN7 6/20 0.33
▸ HDAC9 Q9UKV0 6/20 0.33
▸ HDAC5 Q9UQL6 6/20 0.33
▸ TERT O14746 2/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33

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 SCHEMBL584374 1.00 STAT3 (0.51) STAT3STAT1PPARGPPARAHDAC3
SCHEMBL584793 0.99 STAT3 (0.52) STAT3STAT1PPARGPPARAHDAC3
SCHEMBL14383960 0.93 STAT3 (0.46) STAT3STAT1PPARGPPARACHEK2
Exeporfinium SCHEMBL584418 0.89 STAT3 (0.51) STAT3STAT1TERTCYP1A2CYP19A1
Hydrochloric Acid SCHEMBL588717 0.88 STAT3 (0.41) STAT3STAT1PPARGPPARATERT
SCHEMBL12066656 0.88 STAT3 (0.48) STAT3STAT1PPARGPPARATERT
Exeporfinium SCHEMBL585997 0.88 STAT3 (0.52) STAT3STAT1TERT
SCHEMBL585139 0.87 STAT3 (0.41) STAT3STAT1PPARGPPARADHFR
Exeporfinium SCHEMBL5012396 0.87 STAT3 (0.51) STAT3STAT1TERT
Hydrochloric Acid SCHEMBL29648896 0.87 STAT3 (0.48) STAT3STAT1TERTCYP1A2CYP19A1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022180380-A1 COMBINATION OF MUPIROCIN WITH PORPHYRIN-BASED PHOTOSENSITIZERS FOR REDUCING ANTIBIOTIC RESISTANCE EMERGENCE DESTINY PHARMA PLC (GB) 2022-09-01 — — WO claimed
WO-2022180380-A1 COMBINATION OF MUPIROCIN WITH PORPHYRIN-BASED PHOTOSENSITIZERS FOR REDUCING ANTIBIOTIC RESISTANCE EMERGENCE DESTINY PHARMA PLC (GB) 2022-09-01 — — WO disclosed
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