Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5222032

CCC(N=Nc1n(CC)c2ccccc2[n+]1CC)=NN=c1ccccn1C.[Cl-]

nearest known ligand 0.30

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 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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 SCHEMBL5221414 0.89 ALDH1A1 (0.31) ALDH1A1POLBHPGDSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL5216410 0.86
Hydrochloric Acid SCHEMBL4804902 0.81 KDM4E (0.34) ALDH1A1L3MBTL1
SCHEMBL5198840 0.79 MAPT (0.35) ALDH1A1L3MBTL1
SCHEMBL5197961 0.74 KDM4E (0.41)
Hydrochloric Acid SCHEMBL5220811 0.73 ALDH1A1 (0.31) ALDH1A1POLBHPGDSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL5226294 0.71 OPRM1 (0.31)
Hydrochloric Acid SCHEMBL5224085 0.71 KDM4E (0.30)
Hydrochloric Acid SCHEMBL4798212 0.71 KDM4E (0.52)
SCHEMBL5195813 0.70 KDM4E (0.53)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1548006-B1 Synthesis of tetraazapentamethine derivatives, keratin fibers dyeing process which uses such synthesis OREAL (FR) 2007-09-05 EP claimed