Hydrochloric Acid

Hydrochloric Acid

SCHEMBL27407010

CC1=Cc2c(-c3cccc(C(F)(F)F)c3)cccc2C1[Zr+2].[Cl-].[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 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
KDM1A O60341 2/20 0.38
RORC P51449 1/20 0.37
RORB Q92753 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
IKBKB O14920 1/20 0.36
BRD4 O60885 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PARP1 P09874 1/20 0.35
EPHX2 P34913 1/20 0.34
MAOB P27338 1/20 0.34
PTPN5 P54829 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34

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 SCHEMBL4556847 0.86 KIF11 (0.35) RAB9APARP1MAOB
Hydrochloric Acid SCHEMBL27513160 0.82 FYN (0.35) ADORA1NPC1RAB9AMAOBHSD17B10
Hydrochloric Acid SCHEMBL16394004 0.81 RXRB (0.33)
SCHEMBL1454517 0.81 BRD4 (0.40) HTR1AHTR7KDM1ARORCRORB
Hydrochloric Acid SCHEMBL29424591 0.80 PDCD1 (0.35) HTR1AHTR7BRD4ALDH1A1HPGD
Hydrochloric Acid SCHEMBL3163965 0.80 PDCD1 (0.35) HTR1AHTR7BRD4ALDH1A1HPGD
Hydrochloric Acid SCHEMBL5709184 0.80 PDCD1 (0.35) HTR1AHTR7BRD4ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7932490 0.80 ESR2 (0.39) HTR1AHTR7ADORA2AADORA1
Hydrochloric Acid SCHEMBL8464927 0.79 KDM1A (0.37) HTR1AHTR7KDM1ARORCRORB
Hydrochloric Acid SCHEMBL8461602 0.79 HTR1A (0.38) HTR1AHTR7KDM1ARORCRORB

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
CN-1105672-A Novel transition metal compound, olefin polymerization catalyst component comprising the transition metal compound, olefin polymerization catalyst comprising the olefin polymerization catalyst comp... MITSUI PETROCHEMICAL IND (JP) 1995-07-26 CN disclosed