Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5600515

CC1=Cc2ccc(-n3ccnc3)cc2[C@@H]1[Zr+2]([C@H]1C(C)=Cc2ccc(-n3ccnc3)cc21)=[Si](C)C.[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
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
CYP19A1 P11511 3/20 0.39
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ENPP2 Q13822 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
NOTUM Q6P988 1/20 0.36
IDO1 P14902 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ADH5 P11766 2/20 0.36
CYP3A4 P08684 3/20 0.35
BAZ2B Q9UIF8 1/20 0.35
CRBN Q96SW2 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE3B Q13370 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 SCHEMBL5602973 0.77 ADH5 (0.36) LMNAADH5CYP3A4MEN1ALOX15
Hydrochloric Acid SCHEMBL5602274 0.77 MEN1 (0.40) CYP11B1CYP11B2CYP19A1LMNAIDO1
Hydrochloric Acid SCHEMBL7782275 0.74
Hydrochloric Acid SCHEMBL5601947 0.73 CYP3A4 (0.39) CYP11B1CYP11B2CYP19A1LMNAMAPT
Hydrochloric Acid SCHEMBL5603120 0.71 ESR2 (0.32) LMNAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5601972 0.71
Hydrochloric Acid SCHEMBL5601419 0.71 HDAC6 (0.33)
Hydrochloric Acid SCHEMBL5601643 0.71 MEN1 (0.39) CYP11B1CYP11B2CYP19A1LMNAMAPT
Hydrochloric Acid SCHEMBL5602368 0.71 KMT2A (0.31) CYP19A1MEN1ALOX15TSHRKMT2A
Hydrochloric Acid SCHEMBL5603536 0.67

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
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed