Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5365082

Cc1cc(C)n(C(C2CCCCC2)n2nccc2-c2ccc[n+](CC(=O)NC3CC3)c2)n1.[Cl-]

nearest known ligand 0.38

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 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PIN1 Q13526 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
P2RX7 Q99572 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33

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 SCHEMBL5361934 0.80 HTT (0.35) HTTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL6598839 0.79 HTT (0.35) HTTTP53ALDH1A1LMNASMN1; SMN2
Bromide SCHEMBL5359685 0.70 SMYD3 (0.35) ALDH1A1LMNASMN1; SMN2KMT2ARXFP1
Hydrochloric Acid SCHEMBL1195003 0.68 CYP3A4 (0.39) HTTTP53ALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL1538308 0.67 P2RX7 (0.51) HTTALDH1A1LMNASMN1; SMN2P2RX7
SCHEMBL6599056 0.67 CYP3A4 (0.39) HTTTP53ALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL1194126 0.63 MAPK8 (0.38) HTTALDH1A1KMT2A
SCHEMBL5424234 0.62 EPHX2 (0.50) ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL6597480 0.62 MAPK8 (0.39) HTTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1194003 0.62 MAPK8 (0.39) ALDH1A1LMNAKMT2A

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-7223777-B2 Compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof TORRENT PHARMACEUTICALS LTD. (IN) 2007-05-29 US disclosed