Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7710123

CC1=C(C)C(C)C([SiH](C)NC(=O)c2c(C(C)C)cccc2C(C)C)=C1C.[Cl-].[Cl-].[Zr+2]

nearest known ligand 0.33

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
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
ITGB1 P05556 3/20 0.32
ITGA4 P13612 3/20 0.32
ITGB7 P26010 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
KCNK3 O14649 1/20 0.30
KCNK9 Q9NPC2 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 SCHEMBL5854091 0.76 LMNA (0.33) LMNAKMT2AITGB1ITGA4ITGB7
Hydrochloric Acid SCHEMBL5855320 0.75 ITGB1 (0.33) LMNAKMT2AITGB1ITGA4ITGB7
Hydrochloric Acid SCHEMBL5853909 0.74 LMNA (0.32) LMNAKMT2AITGB1ITGA4ITGB7
Hydrochloric Acid SCHEMBL5855094 0.70 LMNA (0.35) LMNAKMT2AITGB1ITGA4ITGB7
Hydrochloric Acid SCHEMBL5852677 0.69 LMNA (0.34) LMNAKMT2AITGB1ITGA4ITGB7
Hydrochloric Acid SCHEMBL5854580 0.69 KCNK3 (0.38) LMNAKMT2AKCNK3KCNK9
Hydrochloric Acid SCHEMBL5853440 0.68 LMNA (0.34) LMNAKMT2AITGB1ITGA4ITGB7
Hydrochloric Acid SCHEMBL6908382 0.66 FAAH (0.31) LMNA
Hydrochloric Acid SCHEMBL5854332 0.65 KCNK3 (0.36) LMNAKMT2AKCNK3KCNK9
Hydrochloric Acid SCHEMBL5853413 0.65 KCNK3 (0.36) LMNAKMT2AKCNK3KCNK9

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-6376416-B1 COORDINATION POLYMERIZATION CATALYSTS JAPAN POLYCHEM CORPORATION (JP) 2002-04-23 US disclosed