Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6573909

CC(=O)Nc1ccc(N(O)C(=O)Cn2cc[n+](CC(=O)N(O)c3ccc(NC(C)=O)c(Cl)c3)c2)cc1Cl.[Cl-]

nearest known ligand 0.40

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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 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 2/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
USP2 O75604 1/20 0.31
ROCK2 O75116 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL6572880 0.99 POLB (0.36) POLBCYP2C9CA1CA2CA9
Hydrochloric Acid SCHEMBL7635538 0.90 POLB (0.36) POLBCYP2C9KMT2AMEN1RECQL
Hydrochloric Acid SCHEMBL6944704 0.89 LMNA (0.37) POLBCYP2C9CA1CA2CA9
SCHEMBL6946188 0.88 SMN1; SMN2 (0.38) POLBCYP2C9CA1CA2CA9
Hydrochloric Acid SCHEMBL6573701 0.87 LMNA (0.38) POLBKMT2AMEN1RECQLALDH1A1
Hydrochloric Acid SCHEMBL6572979 0.86 CYP1A2 (0.39) POLBCYP2C9KMT2AMEN1RECQL
SCHEMBL6573683 0.85 LMNA (0.36) POLBKMT2AMEN1RECQLALDH1A1
SCHEMBL6571520 0.85 CYP1A2 (0.40) POLBCYP2C9KMT2AMEN1RECQL
Hydrochloric Acid SCHEMBL6572670 0.84 MEN1 (0.37) KMT2AMEN1RECQLALDH1A1LMNA
Hydrochloric Acid SCHEMBL6572788 0.83 MEN1 (0.38) KMT2AMEN1RECQL

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