Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6462709

CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Zr+2](=C(C)C)C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21.[Cl-].[Cl-]

nearest known ligand 0.31

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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 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
KIF11 P52732 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
PARP1 P09874 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 SCHEMBL6465891 0.85 PDCD1 (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL29874524 0.85 BRD4 (0.32) BRD4CREBBPKIF11PARP1
Hydrochloric Acid SCHEMBL6465119 0.85 BRD4 (0.32) BRD4CREBBPKIF11PARP1
Hydrochloric Acid SCHEMBL6465000 0.84 KIF11 (0.31) KIF11PARP1
Hydrochloric Acid SCHEMBL1022319 0.83
Hydrochloric Acid SCHEMBL29949206 0.82 BRD4 (0.33) BRD4CREBBPKIF11PARP1
Hydrochloric Acid SCHEMBL2234634 0.82 BRD4 (0.31) BRD4CREBBPKIF11PARP1
Hydrochloric Acid SCHEMBL5351713 0.82 BRD4 (0.31) BRD4CREBBPKIF11PARP1
Hydrochloric Acid SCHEMBL30203909 0.82 BRD4 (0.31) BRD4CREBBPKIF11PARP1
Hydrochloric Acid SCHEMBL6466714 0.82 KIF11 (0.30) KIF11

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
US-6900343-B1 Method for the purification of metallocenes BASELL POLYOLEFINE GMBH (DE) 2005-05-31 US disclosed