Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5602368

CC1=Cc2c(cc(-c3ccc(C)cc3)cc2-n2ccnc2)[C@@H]1[Zr+2]([C@H]1C(C)=Cc2c1cc(-c1ccc(C)cc1)cc2-n1ccnc1)=[Si](C)C.[Cl-].[Cl-]

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 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CYP19A1 P11511 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL5601643 0.92 MEN1 (0.39) KMT2AMEN1ALOX15TSHRCYP19A1
Hydrochloric Acid SCHEMBL5603301 0.88
Hydrochloric Acid SCHEMBL5602973 0.82 ADH5 (0.36) KMT2AMEN1ALOX15TSHRNPC1
Hydrochloric Acid SCHEMBL6064859 0.81 KMT2A (0.34) KMT2AMEN1ALOX15TSHRCYP19A1
Hydrochloric Acid SCHEMBL5601276 0.81 MEN1 (0.31) KMT2AMEN1
Hydrochloric Acid SCHEMBL5600863 0.80 KMT2A (0.36) KMT2A
Hydrochloric Acid SCHEMBL5601947 0.80 CYP3A4 (0.39) KMT2AMEN1CYP19A1
Hydrochloric Acid SCHEMBL5600578 0.79
Hydrochloric Acid SCHEMBL5604034 0.79
SCHEMBL6064860 0.78 IDO1 (0.34) KMT2AMEN1ALOX15TSHRCYP19A1

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