Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3686641

O=C(C[n+]1cccc(-c2cc(COc3ccccc3)n[nH]2)c1)c1cccs1.[Cl-]

nearest known ligand 0.39

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 5/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
ABL1 P00519 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KCNA5 P22460 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MAPT P10636 5/20 0.35
MAPK1 P28482 1/20 0.35
CTNNB1 P35222 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 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
Bromide SCHEMBL6599927 0.86 LMNA (0.34) ALDH1A1SMN1; SMN2LMNARAB9ANPC1
Hydrochloric Acid SCHEMBL6596513 0.84 RAB9A (0.43) ALDH1A1TSHRSMN1; SMN2LMNARAB9A
SCHEMBL6598288 0.84 ALDH1A1 (0.37) ALDH1A1TSHRLMNAL3MBTL1HPGD
Bromide SCHEMBL1194181 0.84 ALDH1A1 (0.36) ALDH1A1TSHRSMN1; SMN2LMNAL3MBTL1
Hydrochloric Acid SCHEMBL6609904 0.81 POLB (0.34) ALDH1A1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL6598001 0.81 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAL3MBTL1RAB9A
Hydrochloric Acid SCHEMBL6611866 0.80 POLB (0.38) ALDH1A1SMN1; SMN2LMNARAB9ANPC1
Hydrochloric Acid SCHEMBL6621921 0.80 CPT2 (0.33) ALDH1A1LMNARAB9ANPC1MEN1
Hydrochloric Acid SCHEMBL5358894 0.79 MEN1 (0.38) ALDH1A1SMN1; SMN2LMNARAB9AHPGD
SCHEMBL6598655 0.78 MEN1 (0.38) ALDH1A1SMN1; SMN2LMNARAB9AHPGD

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-2254563-A2 PHARMACEUTICAL COMBINATIONS COMPRISING SPECIFIED AGE BREAKER AND FURTHER DRUGS, I.A. ANTIHYPERTENSIVE DRUGS, ANTIDIABETIC DRUGS ETC Torrent Pharmaceuticals Ltd. (IN) 2010-12-01 EP claimed
WO-2009093264-A2 PHARMACEUTICAL COMBINATIONS TORRENT PHARMACEUTICALS LTD. (IN) 2009-07-30 WO claimed