Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7160334

C[n+]1ccn(CC(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)c(O)c2)c1.[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 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.45
GAA P10253 3/20 0.44
BCL2A1 Q16548 2/20 0.44
GFER P55789 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
ERBB2 P04626 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 7/20 0.40
MEN1 O00255 5/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MMP2 P08253 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
STING1 Q86WV6 1/20 0.38

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
SCHEMBL7807694 0.99 MCL1 (0.46) MCL1GAABCL2A1GFERAPOBEC3G
Hydrochloric Acid SCHEMBL5469099 0.87 HPGD (0.39) ALDH1A1LMNASMN1; SMN2HPGDTSHR
SCHEMBL6572695 0.86 HPGD (0.39) ALDH1A1LMNASMN1; SMN2HPGDTSHR
Hydrochloric Acid SCHEMBL7161837 0.85 KMT2A (0.42) GAAGFERAPOBEC3GERBB2HSP90AA1
Hydrochloric Acid SCHEMBL6939292 0.84 HPGD (0.43) GAAALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL7806178 0.84 KMT2A (0.43) GAAGFERAPOBEC3GERBB2HSP90AA1
Hydrochloric Acid SCHEMBL7156607 0.83 KMT2A (0.43) GAAGFERAPOBEC3GERBB2MAPT
SCHEMBL6946140 0.83 HPGD (0.44) GAAMAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL7160339 0.82 G6PD (0.40) GAAGFERAPOBEC3GMAPTALDH1A1
SCHEMBL7804320 0.82 KMT2A (0.44) GAAGFERAPOBEC3GERBB2MAPT

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