Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7630764

CC1=C(C)C([Ti+2](C)(C)NC(=O)C2CCCCCCCCCCC2)c2ccccc21.[Cl-].[Cl-].[SiH4]

nearest known ligand 0.40

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 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
P2RX7 Q99572 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CETP P11597 1/20 0.36
HDAC3 O15379 1/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34
OPRM1 P35372 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 SCHEMBL7753150 0.89 CYP2C19 (0.45) CYP2C19P2RX7SMN1; SMN2HPGDHDAC1
Hydrochloric Acid SCHEMBL8027143 0.79 BCHE (0.41) CYP2C19SMN1; SMN2HPGDNPSR1KMT2A
Hydrochloric Acid SCHEMBL7627303 0.75 P2RX7 (0.43) P2RX7HPGDNPSR1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7644423 0.74 ALDH1A1 (0.41) CYP2C19SMN1; SMN2HPGDHDAC1HDAC2
SCHEMBL8008148 0.72 CYP2C19 (0.41) CYP2C19P2RX7SMN1; SMN2HPGDHDAC1
SCHEMBL7743272 0.72 CYP2C19 (0.41) CYP2C19P2RX7SMN1; SMN2HPGDHDAC1
SCHEMBL7636583 0.71 CYP2C19 (0.45) CYP2C19P2RX7SMN1; SMN2HPGDHDAC1
Hydrochloric Acid SCHEMBL5968682 0.69 HPGD (0.33) CYP2C19P2RX7SMN1; SMN2HPGDHDAC1
SCHEMBL7630771 0.68 CYP2C19 (0.40) CYP2C19P2RX7SMN1; SMN2HPGDHDAC1
Hydrochloric Acid SCHEMBL7752408 0.66 CYP2C19 (0.45) CYP2C19P2RX7SMN1; SMN2HPGDHDAC1

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
EP-0874860-B1 SUBSTITUTED INDENYL CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS DOW CHEMICAL CO (US) 2002-11-13 EP disclosed
US-6015868-A CATALYSIS OF HIGH TEMPERATURE, SOLUTION POLYMERIZATION WHICH YIELDS HIGH MOLECULAR WEIGHT OLEFIN POLYMERS, BY USING COORDINATION CATALYST MIXED WITH AN ACTIVATING COCATALYST, EFFICIENCY THE DOW CHEMICAL COMPANY (US) 2000-01-18 US disclosed