Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6943412

COc1cc(N(O)C(=O)C[n+]2ccccc2)ccc1N.[Cl-]

nearest known ligand 0.47

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
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
HSP90AA1 P07900 2/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.45
PKM P14618 1/20 0.44
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BACE1 P56817 1/20 0.39
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL6939459 0.99 POLB (0.45) POLBSMN1; SMN2HSP90AA1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6941349 0.88 POLB (0.47) POLBSMN1; SMN2HSP90AA1KMT2AALDH1A1
SCHEMBL6941713 0.86 POLB (0.45) POLBSMN1; SMN2HSP90AA1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6941921 0.82 POLB (0.54) POLBSMN1; SMN2HSP90AA1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6946250 0.82 POLB (0.54) POLBSMN1; SMN2HSP90AA1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6938925 0.82 HSP90AA1 (0.50) POLBSMN1; SMN2HSP90AA1KMT2APKM
SCHEMBL6943691 0.81 POLB (0.52) POLBSMN1; SMN2HSP90AA1KMT2AALDH1A1
SCHEMBL6940483 0.81 POLB (0.52) POLBSMN1; SMN2HSP90AA1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6575297 0.81 KMT2A (0.36) POLBKMT2AALDH1A1HTTRECQL
SCHEMBL6942054 0.81 HSP90AA1 (0.48) POLBHSP90AA1PKMBACE1

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 5 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-6537329-B1 Intense colorations with a wide range of colours, excellent colorfastness L'OREAL S.A. (FR) 2003-03-25 US claimed
US-6544298-B1 Dyeing human hair using coupler L'OREAL (FR) 2003-04-08 US disclosed
US-6537329-B1 Intense colorations with a wide range of colours, excellent colorfastness L'OREAL S.A. (FR) 2003-03-25 US disclosed