Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6015203

CCOc1cc(N2CCCCC2)c(OCC)cc1[N+]#N.[Cl-]

nearest known ligand 0.40

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
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MAPT P10636 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL11034825 0.99 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EGAAMEN1
Hydrochloric Acid SCHEMBL10872221 0.87 GAA (0.53) ALDH1A1SMN1; SMN2KDM4EGAAMEN1
Hydrochloric Acid SCHEMBL8415162 0.86 GAA (0.52) ALDH1A1SMN1; SMN2KDM4EGAAMEN1
Hydrochloric Acid SCHEMBL7026130 0.86 GAA (0.52) ALDH1A1SMN1; SMN2KDM4EGAAMEN1
Hydrochloric Acid SCHEMBL7026128 0.86 GAA (0.52) ALDH1A1SMN1; SMN2KDM4EGAAMEN1
SCHEMBL3314693 0.86 GAA (0.54) ALDH1A1SMN1; SMN2KDM4EGAAMEN1
Hydrochloric Acid SCHEMBL8415161 0.85 GAA (0.51) ALDH1A1SMN1; SMN2KDM4EGAAMEN1
SCHEMBL11152353 0.84 GAA (0.53) ALDH1A1SMN1; SMN2KDM4EGAAMEN1
Fluoride Ion SCHEMBL11152351 0.83 GAA (0.52) ALDH1A1SMN1; SMN2KDM4EGAAMEN1
SCHEMBL11332195 0.82 GAA (0.51) ALDH1A1SMN1; SMN2KDM4EGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558446-B1 THERMAL GENERATION OF A MASK FOR FLEXOGRAPHY KODAK POLYCHROME GRAPHICS LLC (US) 2006-08-16 EP disclosed
US-6960419-B2 Antihalation dye for negative-working printing plates KODAK POLYCHROME GRAPHICS LLC (US) 2005-11-01 US disclosed
EP-1558446-A1 THERMAL GENERATION OF A MASK FOR FLEXOGRAPHY Kodak Polychrome Graphics, LLC (US) 2005-08-03 EP disclosed
US-20050130064-A1 ANTIHALATION DYE FOR NEGATIVE-WORKING PRINTING PLATES CITICORP NORTH AMERICA, INC., AS AGENT 2005-06-16 US disclosed
US-6794107-B2 THERMALLY IMAGEABLE VESICULAR IMAGING COMPOSITION COMPRISING SENSITIZER, POLYMER, AND PHOTOTHERMAL CONVERSION MATERIAL; EXPOSURE TO ULTRAVIOLET AND/OR VISIBLE RADIATION; DEVELOPMENT TO PRODUCE PRINTING PLATE KODAK POLYCHROME GRAPHICS LLC 2004-09-21 US disclosed
WO-2004039601-A1 THERMAL GENERATION OF A MASK FOR FLEXOGRAPHY KODAK POLYCHROME GRAPHICS LLC (US) 2004-05-13 WO disclosed
US-20040081908-A1 Thermal generation of a mask for flexography EASTMAN KODAK COMPANY 2004-04-29 US disclosed
EP-0109286-A2 Image stabilizers for vesicular film MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-05-23 EP disclosed
US-4430414-A BENZOIC ACID DERIVATIVES AS STABILIZERS FOR HOMO-(OR CO-)POLYMERS OF CHLOROACRYLONITRILE AND LIGHT SENSITIVE AGENT MINNESOTA MINING & MANUFACTURING COMPANY (US) 1984-02-07 US disclosed
US-4283477-A POLYSULFONAMIDE SEPARATION POLYMER FOR STORAGE STABILITY EASTMAN KODAK COMPANY (US) 1981-08-11 US disclosed
US-4199359-A Photographic screen stencil printing process XEROX CORPORATION (US) 1980-04-22 US disclosed
US-4016814-A Planographic printing master XEROX CORPORATION (US) 1977-04-12 US disclosed