Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11023673

CCC[N+](C)(CCC)c1ccccc1.[Cl-]

nearest known ligand 0.52

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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
ACHE known ✓ P22303 2/20 0.36
CHRM2 known ✓ P08172 1/20 0.35
CHRM1 known ✓ P11229 1/20 0.35
CHRM3 known ✓ P20309 1/20 0.35
SLC6A2 known ✓ P23975 1/20 0.35
SLC6A3 known ✓ Q01959 1/20 0.35
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DNM1 Q05193 2/20 0.39
BLM P54132 1/20 0.36
MLNR O43193 1/20 0.35

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
SCHEMBL5426429 0.97 APOBEC3A (0.48) APOBEC3AAPOBEC3GSMN1; SMN2MEN1KMT2A
SCHEMBL5309968 0.91 APOBEC3A (0.42) APOBEC3AAPOBEC3GSMN1; SMN2MEN1KMT2A
SCHEMBL28183012 0.89 DNM1 (0.44) APOBEC3AAPOBEC3GSMN1; SMN2MEN1KMT2A
Bromide SCHEMBL1597820 0.89 APOBEC3A (0.41) APOBEC3AAPOBEC3GSMN1; SMN2MEN1KMT2A
SCHEMBL5428993 0.86 DNM1 (0.46) APOBEC3AAPOBEC3GSMN1; SMN2MEN1KMT2A
SCHEMBL7904402 0.84 DNM1 (0.53) APOBEC3AAPOBEC3GSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL10814018 0.83 APOBEC3A (0.44) APOBEC3AAPOBEC3GSMN1; SMN2MEN1KMT2A
SCHEMBL5432019 0.82 DNM1 (0.56) SMN1; SMN2MEN1KMT2ATP53MAPK1
SCHEMBL15889882 0.82 DNM1 (0.56) SMN1; SMN2MEN1KMT2ATP53MAPK1
SCHEMBL12620187 0.82 DNM1 (0.56) SMN1; SMN2MEN1KMT2ATP53MAPK1

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-0138553-A2 Purification of esters of alkanoic acids ELI LILLY AND COMPANY (US) 1985-04-24 EP disclosed