Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6574934

Nc1ccccc1N(O)C(=O)Cn1cc[n+](CC(=O)N(O)c2ccccc2N)c1.[Cl-]

nearest known ligand 0.46

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 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HSP90AA1 P07900 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6573856 0.99 MEN1 (0.47) MEN1KMT2ARECQLMAPTCYP3A4
Hydrochloric Acid SCHEMBL6942135 0.85 LMNA (0.42) MEN1KMT2ARECQLCYP3A4CYP2D6
SCHEMBL6575602 0.84 MEN1 (0.40) MEN1KMT2ARECQL
SCHEMBL6945494 0.84 LMNA (0.43) MEN1KMT2ARECQLMAPTCYP3A4
SCHEMBL6574295 0.82 KMT2A (0.53) MEN1KMT2ARECQLMAPTHSP90AA1
Hydrochloric Acid SCHEMBL7636184 0.82 MEN1 (0.41) MEN1KMT2ARECQLMAPTHSP90AA1
Hydrochloric Acid SCHEMBL6572948 0.81 MEN1 (0.41) MEN1KMT2ARECQLHSP90AA1SMN1; SMN2
SCHEMBL6573697 0.80 MEN1 (0.42) MEN1KMT2ARECQLMAPTHSP90AA1
Hydrochloric Acid SCHEMBL6575511 0.79 TDP1 (0.40) MEN1KMT2ARECQLHSP90AA1SMN1; SMN2
Hydrochloric Acid SCHEMBL6573230 0.78 HSP90AA1 (0.42) MEN1KMT2AMAPTHSP90AA1SMN1; SMN2

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-1066263-B1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS OREAL (FR) 2004-05-26 EP claimed
US-6455737-B1 CATIONIC DYES AND OXIDATION BASES HAVING INTENSE SHADES OR COLORS AND COLORFASTNESS USED ON HUMAN KERATIN FIBERS SUCH AS HAIR; MULTICOMPARTMENT KITS L'OREAL S.A. (FR) 2002-09-24 US claimed
US-6455737-B1 CATIONIC DYES AND OXIDATION BASES HAVING INTENSE SHADES OR COLORS AND COLORFASTNESS USED ON HUMAN KERATIN FIBERS SUCH AS HAIR; MULTICOMPARTMENT KITS L'OREAL S.A. (FR) 2002-09-24 US disclosed