Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7018971

Nc1cccc2c(O)c(NC(=O)C[n+]3ccccc3)ccc12.[Cl-]

nearest known ligand 0.51

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
ACHE known ✓ P22303 1/20 0.39
KMT2A Q03164 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.51
POLB P06746 2/20 0.48
LMNA P02545 3/20 0.46
HSP90AA1 P07900 4/20 0.45
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
BACE1 P56817 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL7019932 0.99 KMT2A (0.49) KMT2AL3MBTL1ALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL7028394 0.90 KMT2A (0.57) KMT2AL3MBTL1ALDH1A1MAPK1POLB
SCHEMBL7022552 0.88 KMT2A (0.55) KMT2AL3MBTL1ALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL7028355 0.84 KMT2A (0.51) KMT2AL3MBTL1ALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL7026394 0.84 KMT2A (0.51) KMT2AL3MBTL1ALDH1A1MAPK1POLB
SCHEMBL7022333 0.82 KMT2A (0.49) KMT2AL3MBTL1ALDH1A1MAPK1POLB
SCHEMBL7024970 0.82 KMT2A (0.49) KMT2AL3MBTL1ALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL7018300 0.82 POLB (0.55) KMT2AL3MBTL1ALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL7026792 0.82 POLB (0.55) KMT2AL3MBTL1ALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL6943270 0.82 KMT2A (0.68) KMT2AL3MBTL1ALDH1A1MAPK1POLB

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