Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6554748

CC1C(C)[Zr+2]1(C1C=Cc2cc(-c3ccccc3)ccc21)C1C=Cc2cc(-c3ccccc3)ccc21.[Cl-].[Cl-]

nearest known ligand 0.37

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
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAOA P21397 1/20 0.31
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
NPC1 O15118 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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5512533 0.79 BRD4 (0.39) KDM4EMEN1KMT2ALMNAHSD17B10
Hydrochloric Acid SCHEMBL7632622 0.72 MAOA (0.35) CA12CA9KDM4EMEN1GAA
Hydrochloric Acid SCHEMBL8040766 0.72 MAOA (0.35) CA12CA9KDM4EMEN1GAA
Hydrochloric Acid SCHEMBL7615083 0.72 MAOA (0.35) CA12CA9KDM4EMEN1GAA
SCHEMBL8036415 0.70 MAOA (0.36) CA12CA9KDM4EMEN1GAA
Bromide SCHEMBL8024880 0.69 MAOA (0.35) CA12CA9KDM4EMEN1GAA
Hydrochloric Acid SCHEMBL8844475 0.69 CA12 (0.31) CA12CA9MAOAKDM1AKDM1B
SCHEMBL8024885 0.67 CA12 (0.36) CA12CA9KDM4EMEN1GAA
SCHEMBL7632627 0.67 CA12 (0.36) CA12CA9ALDH1A1HSP90AA1HTT
SCHEMBL8040768 0.67 HTT (0.34) CA12CA9KDM4EMEN1GAA

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773237-B1 Olefin polymerization catalyst system MITSUI CHEMICALS INC (JP) 2004-02-18 EP disclosed