Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7633710

COc1cc(NC(C)=O)c(O)cc1NC(=O)CN1CC[N+](C)(CC(=O)Nc2cc(O)c(NC(C)=O)cc2OC)CC1.[Cl-]

nearest known ligand 0.50

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 9/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
TSHR P16473 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 7/20 0.48
LMNA P02545 3/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.46
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALOX15 P16050 1/20 0.45
RAD52 P43351 1/20 0.44
GFER P55789 1/20 0.44
KDM4E B2RXH2 2/20 0.44

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 SCHEMBL6571543 1.00 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL7804283 0.99 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL6574920 0.99 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL7629724 0.92 KMT2A (0.50) ALDH1A1KMT2AMEN1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL7635997 0.92 KMT2A (0.50) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL7798510 0.91 KMT2A (0.51) ALDH1A1KMT2AMEN1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL6942728 0.90 GAA (0.42) ALDH1A1KMT2AMEN1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL6943709 0.90 GAA (0.42) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL6943626 0.89 GAA (0.43) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL6944278 0.89 GAA (0.43) ALDH1A1KMT2AMEN1TSHRL3MBTL1

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
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