Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7182691

CC(=Nc1ccccc1)c1cccc(C(C)=Nc2ccccc2)n1.[Cl-].[Cl-].[Fe+2]

nearest known ligand 0.47

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
NOS1 P29475 4/20 0.47
NOS3 P29474 2/20 0.47
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
NFKB1 P19838 2/20 0.39
ALOX12 P18054 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALOX15 P16050 2/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3A P46098 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
TSHR P16473 1/20 0.39

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 SCHEMBL7175793 0.96 NOS1 (0.47) NOS1NOS3KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL7171334 0.96 NOS1 (0.47) NOS1NOS3KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL7179350 0.96 NOS1 (0.47) NOS1NOS3KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL7176633 0.96 NOS1 (0.47) NOS1NOS3KDM4EALDH1A1MAPT
SCHEMBL5589473 0.96 NOS1 (0.50) NOS1NOS3KDM4EALDH1A1MAPT
SCHEMBL5589476 0.96 NOS1 (0.50) NOS1NOS3KDM4EALDH1A1MAPT
SCHEMBL5589766 0.94 NOS1 (0.48) NOS1NOS3KDM4EALDH1A1MAPT
SCHEMBL15082887 0.94 NOS1 (0.48) NOS1NOS3KDM4EALDH1A1MAPT
SCHEMBL17489134 0.87 KDM4E (0.59) NOS1NOS3KDM4EALDH1A1MAPT
SCHEMBL21113696 0.87 KDM4E (0.44) NOS1NOS3KDM4EALDH1A1MAPT

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-1367069-A1 Process for homo-or copolymerization of conjugated diens DOW GLOBAL TECHNOLOGIES INC. (US) 2003-12-03 EP disclosed