Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6945703

COC(=O)Nc1ccc(N(O)C(=O)Cn2cc[n+](C)c2)cc1.[Cl-]

nearest known ligand 0.45

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 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 4/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MAPK1 P28482 1/20 0.33
MCL1 Q07820 1/20 0.33
NR3C1 P04150 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL6939931 0.99 MAPT (0.46) MAPTSMN1; SMN2LMNAHPGDKDM4E
Hydrochloric Acid SCHEMBL6944489 0.88 SMN1; SMN2 (0.41) MAPTSMN1; SMN2LMNAHPGDKDM4E
Hydrochloric Acid SCHEMBL6944718 0.88 ALDH1A1 (0.42) MAPTSMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL6946144 0.87 ALDH1A1 (0.43) MAPTSMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL6946419 0.87 SMN1; SMN2 (0.41) MAPTSMN1; SMN2LMNAHPGDKDM4E
Hydrochloric Acid SCHEMBL6573008 0.87 MAPT (0.43) MAPTSMN1; SMN2LMNAHPGDKDM4E
SCHEMBL6572655 0.85 MAPT (0.44) MAPTSMN1; SMN2LMNAHPGDKDM4E
Hydrochloric Acid SCHEMBL6940001 0.84 LMNA (0.36) MAPTSMN1; SMN2LMNAHPGDKDM4E
Hydrochloric Acid SCHEMBL6944288 0.83 CYP1A2 (0.40) SMN1; SMN2LMNAKDM4EALDH1A1KMT2A
SCHEMBL6943539 0.83 LMNA (0.37) MAPTSMN1; SMN2LMNAHPGDKDM4E

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-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP claimed
US-6544298-B1 Dyeing human hair using coupler L'OREAL (FR) 2003-04-08 US claimed
US-6544298-B1 Dyeing human hair using coupler L'OREAL (FR) 2003-04-08 US disclosed