Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7158144

COc1cc(NS(=O)(=O)c2ccccc2)c(O)cc1NC(=O)C[N+]1(C)CCN(C)CC1.[Cl-]

nearest known ligand 0.43

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
TRIM24 O15164 1/20 0.43
MCOLN2 Q8IZK6 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
MCOLN1 Q9GZU1 1/20 0.42
HTR6 P50406 1/20 0.42
KMT2A Q03164 5/20 0.42
LMNA P02545 4/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.41
RECQL P46063 1/20 0.41
BRD1 O95696 2/20 0.41
BRPF1 P55201 2/20 0.41
BRPF3 Q9ULD4 2/20 0.41
MAPK1 P28482 1/20 0.41
HTR2A P28223 1/20 0.40

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
SCHEMBL7798697 0.99 TRIM24 (0.44) TRIM24MCOLN2MCOLN3MCOLN1HTR6
Hydrochloric Acid SCHEMBL7156926 0.87 KMT2A (0.42) HTR6KMT2ALMNAMEN1MAPT
Hydrochloric Acid SCHEMBL6573313 0.87 ALDH1A1 (0.41) KMT2ALMNAMEN1MAPTSMN1; SMN2
SCHEMBL7798700 0.86 KMT2A (0.43) HTR6KMT2ALMNAMEN1MAPT
SCHEMBL6575877 0.86 MEN1 (0.42) KMT2ALMNAMEN1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7158538 0.83 MCL1 (0.48) HTR6KMT2ALMNAMEN1MAPT
SCHEMBL7798719 0.82 MCL1 (0.48) HTR6KMT2ALMNAMEN1MAPT
Hydrochloric Acid SCHEMBL7158543 0.82 G6PD (0.38) KMT2AMEN1MAPTALDH1A1RECQL
Hydrochloric Acid SCHEMBL6939671 0.82 KMT2A (0.40) KMT2ALMNAMEN1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6943709 0.82 GAA (0.42) KMT2ALMNAMEN1MAPTSMN1; SMN2

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-6537329-B1 Intense colorations with a wide range of colours, excellent colorfastness L'OREAL S.A. (FR) 2003-03-25 US claimed
US-6537329-B1 Intense colorations with a wide range of colours, excellent colorfastness L'OREAL S.A. (FR) 2003-03-25 US disclosed