Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9525922

CCC[n+]1cc(Br)cc(C(=O)N(CCOC(=O)N(C)CCOC(=O)Nc2cccc3ccccc23)c2ccccc2)c1.[Cl-]

nearest known ligand 0.41

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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
MAPK14 Q16539 2/20 0.34
KDM4E B2RXH2 4/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PLAU P00749 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CDK8 P49336 1/20 0.33
MEN1 O00255 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
EPHX1 P07099 1/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32

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 SCHEMBL9525684 0.95 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL9525737 0.95 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL9524804 0.91 ALDH1A1 (0.42) ALDH1A1HPGDMAPK14KDM4EKMT2A
Hydrochloric Acid SCHEMBL9528294 0.91 ALDH1A1 (0.42) ALDH1A1HPGDMAPK14KDM4EKMT2A
Hydrochloric Acid SCHEMBL9528338 0.91 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL9524109 0.90 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL9524281 0.89 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL9525283 0.89 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL9525811 0.89 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL9525936 0.88 ALDH1A1 (0.38) ALDH1A1HPGDMAPK14KDM4EKMT2A

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-0301751-B1 PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
US-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed