Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6142148

Cc1ccccc1N=CCc1ccc([Fe+])c(CC=Nc2ccccc2C)n1.[Cl-]

nearest known ligand 0.39

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 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MPI P34949 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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 SCHEMBL7095603 0.80 CYP2C9 (0.45) CYP2C9LMNAHPGDKDM4EALDH1A1
SCHEMBL5362668 0.79 CYP2C9 (0.47) CYP2C9LMNAHPGDKDM4EALDH1A1
SCHEMBL16835711 0.74 CYP2C9 (0.45) CYP2C9LMNAHPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4620930 0.66 MAPT (0.31) CYP2C9LMNAKDM4EMAPT
SCHEMBL13376542 0.65 CYP2C9 (0.57) CYP2C9LMNAHPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6142137 0.65 ALDH1A1 (0.39) CYP2C9LMNAHPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL16654018 0.64 POLB (0.31) KDM4EPOLB
SCHEMBL5349583 0.64 DHODH (0.44) CYP2C9LMNAHPGDKDM4EALDH1A1
SCHEMBL7053846 0.63 POLB (0.33) POLB
Hydrochloric Acid SCHEMBL4620650 0.63 ALDH1A1 (0.35) KDM4EALDH1A1

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
EP-1492746-A1 SELECTIVE COUPLING OF TERMINAL OLEFINS WITH ETHYLENE TO MANUFACTURE LINEAR ALPHA-OLEFINS ExxonMobil Research and Engineering Company (US) 2005-01-05 EP claimed
WO-2003072529-A1 SELECTIVE COUPLING OF TERMINAL OLEFINS WITH ETHYLENE TO MANUFACTURE LINEAR ALPHA-OLEFINS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2003-09-04 WO claimed