Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7026792

COC(=O)Nc1ccc2c(NC(=O)C[n+]3ccccc3)cccc2c1O.[Cl-]

nearest known ligand 0.55

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
POLB P06746 3/20 0.55
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
MAPK1 P28482 2/20 0.49
HSP90AA1 P07900 4/20 0.47
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
BACE1 P56817 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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 SCHEMBL7018300 1.00 POLB (0.55) POLBKMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL7017581 0.99 POLB (0.53) POLBKMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL7022725 0.99 POLB (0.53) POLBKMT2AALDH1A1L3MBTL1MAPK1
Hydrochloric Acid SCHEMBL7028394 0.92 KMT2A (0.57) POLBKMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL7022552 0.91 KMT2A (0.55) POLBKMT2AALDH1A1L3MBTL1MAPK1
Hydrochloric Acid SCHEMBL7026394 0.88 KMT2A (0.51) POLBKMT2AALDH1A1L3MBTL1MAPK1
Hydrochloric Acid SCHEMBL7028355 0.88 KMT2A (0.51) POLBKMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL7024970 0.87 KMT2A (0.49) POLBKMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL7022333 0.87 KMT2A (0.49) POLBKMT2AALDH1A1L3MBTL1MAPK1
Hydrochloric Acid SCHEMBL7018776 0.83 POLB (0.54) POLBKMT2AALDH1A1L3MBTL1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066246-B1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING OREAL (FR) 2003-11-05 EP claimed
US-6605124-B1 Naphthol hair dyes for keratinous fibers L'OREAL S.A. (FR) 2003-08-12 US claimed
US-6605124-B1 Naphthol hair dyes for keratinous fibers L'OREAL S.A. (FR) 2003-08-12 US disclosed