Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5159512

CC(=O)N1CC(=O)N(c2cc[n+](-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O.[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 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 6/20 0.35
APAF1 O14727 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
MCL1 Q07820 1/20 0.35
ESPL1 Q14674 3/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Hydrochloric Acid SCHEMBL5160885 0.85 NPC1 (0.47) NPC1RAB9AATMMAPTAPAF1
Hydrochloric Acid SCHEMBL5156733 0.81 NPC1 (0.51) NPC1RAB9AATMMAPTCYP1A2
Hydrochloric Acid SCHEMBL5159516 0.73 NPC1 (0.43) NPC1RAB9AATMMAPTAPAF1
Hydrochloric Acid SCHEMBL5159524 0.72 NPC1 (0.47) NPC1RAB9AATMMAPTAPAF1
Hydrochloric Acid SCHEMBL5158699 0.71 NPC1 (0.62) NPC1RAB9AATMMAPTESPL1
Hydrochloric Acid SCHEMBL30343291 0.70 NPC1 (0.65) NPC1RAB9AATMMAPTAPAF1
Hydrochloric Acid SCHEMBL599994 0.70 NPC1 (0.65) NPC1RAB9AATMMAPTAPAF1
Hydrochloric Acid SCHEMBL7787648 0.69 NPC1 (0.56) NPC1RAB9AATMMAPTAPAF1
SCHEMBL11694301 0.69 NPC1 (0.62) NPC1RAB9AATMESPL1CYP1A2
Hydrochloric Acid SCHEMBL5159533 0.69 NPC1 (0.46) NPC1RAB9AATMMAPTAPAF1

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-1473330-B1 Process for the synthesis of oxonol compound FUJI PHOTO FILM CO LTD (JP) 2007-02-14 EP disclosed
EP-0819977-B1 Oxonol compound and silver halide photographic material FUJI PHOTO FILM CO LTD (JP) 2006-01-04 EP disclosed
EP-1473330-A1 Process for the synthesis of oxonol compound FUJI PHOTO FILM CO., LTD. (JP) 2004-11-03 EP disclosed
US-6159673-A Oxonol compound, light-sensitive material and process for the synthesis of oxonol compound FUJI PHOTO FILM CO., LTD. (JP) 2000-12-12 US disclosed
EP-0819977-A1 Oxonol compound, silver halide photographic material and process for the synthesis of oxonol compound FUJI PHOTO FILM CO., LTD. (JP) 1998-01-21 EP disclosed