Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6465000

CCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Zr+2](=C(C)C)C1C(CC)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21.[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 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.31
PARP1 P09874 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 SCHEMBL6466714 0.91 KIF11 (0.30) KIF11
Hydrochloric Acid SCHEMBL6466757 0.86 PARP1 (0.32) PARP1
Hydrochloric Acid SCHEMBL6462709 0.84 BRD4 (0.31) KIF11PARP1
Hydrochloric Acid SCHEMBL5358427 0.84 PARP1 (0.31) PARP1
Hydrochloric Acid SCHEMBL3692857 0.80
SCHEMBL6526045 0.80
Hydrochloric Acid SCHEMBL6459366 0.79 BRD4 (0.34) KIF11PARP1
Hydrochloric Acid SCHEMBL7170563 0.79 BRD4 (0.32) KIF11PARP1
Hydrochloric Acid SCHEMBL29695950 0.79 BRD4 (0.34) KIF11PARP1
Hydrochloric Acid SCHEMBL29612303 0.78 BRD4 (0.32) KIF11PARP1

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