Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5573653

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.O=S(=O)([O-])c1ccc(C=[Ru+2])cc1.[Cl-].[Cl-].[Na+]

nearest known ligand 0.31

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 5)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.31
KDM4E B2RXH2 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SERPINE1 P05121 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
SCHEMBL5573655 0.80 STS (0.30) STS
Hydrochloric Acid SCHEMBL2064723 0.76 POLB (0.37) KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL175377 0.76 POLB (0.37) KDM4ESMN1; SMN2
SCHEMBL1500496 0.76 LMNA (0.45) KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL4119676 0.74 POLB (0.38) KDM4ESMN1; SMN2
Iodide SCHEMBL2464728 0.73 POLB (0.37) KDM4ESMN1; SMN2
Bromide SCHEMBL2467102 0.73 POLB (0.37) KDM4ESMN1; SMN2
SCHEMBL1451334 0.70 ALDH1A1 (0.44) KDM4ESMN1; SMN2
Pyridine SCHEMBL6100271 0.70 SMN1; SMN2 (0.33) KDM4ESMN1; SMN2
SCHEMBL9326235 0.65 LMNA (0.59) KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7252883-B2 Coated particles SEKISUI CHEMICAL CO., LTD. (JP) 2007-08-07 US disclosed
US-20040109995-A1 Coated particles SEKISUI CHEMICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1335389-A1 COATED PARTICLE SEKISUI CHEMICAL CO., LTD. (JP) 2003-08-13 EP disclosed