Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6940001

COC(=O)Nc1ccc(N(O)C(=O)Cn2cc[n+](C)c2)cc1Cl.[Cl-]

nearest known ligand 0.41

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 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDR P35968 7/20 0.34
EGFR P00533 4/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6943539 0.99 LMNA (0.37) LMNASMN1; SMN2KDREGFRPOLB
Hydrochloric Acid SCHEMBL6944704 0.90 LMNA (0.37) LMNASMN1; SMN2POLBHPGDKDM4E
Hydrochloric Acid SCHEMBL7635538 0.89 POLB (0.36) LMNAKDREGFRPOLBHPGD
Hydrochloric Acid SCHEMBL6944288 0.89 CYP1A2 (0.40) LMNASMN1; SMN2POLBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6945516 0.89 LMNA (0.36) LMNASMN1; SMN2POLBHPGDALDH1A1
SCHEMBL6946188 0.89 SMN1; SMN2 (0.38) LMNASMN1; SMN2POLBHPGDKDM4E
SCHEMBL6946411 0.88 CYP1A2 (0.41) LMNASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL6946299 0.87 LMNA (0.36) LMNASMN1; SMN2POLBALDH1A1MEN1
Hydrochloric Acid SCHEMBL6945703 0.84 MAPT (0.45) LMNASMN1; SMN2HPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6940898 0.83 LMNA (0.40) LMNASMN1; SMN2HPGDALDH1A1MEN1

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