Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10537101

C[n+]1c(C=C2C=C(Cl)CC(C)(C)C2)sc2ccccc21.[Cl-]

nearest known ligand 0.54

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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
▸ MAPT P10636 7/20 0.54
▸ ALDH1A1 P00352 6/20 0.54
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ HTT P42858 5/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ GAA P10253 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ POLB P06746 4/20 0.53
▸ PKM P14618 2/20 0.53
▸ RAB9A P51151 5/20 0.45
▸ NR2F2 P24468 2/20 0.45
▸ RAD52 P43351 2/20 0.45
▸ ADRB2 P07550 2/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ INSR P06213 1/20 0.37
▸ SNCA P37840 2/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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 SCHEMBL10537097 1.00 MAPT (0.54) MAPTALDH1A1SMN1; SMN2HTTNPC1
Iodide SCHEMBL10537077 0.78 NPC1 (0.52) MAPTALDH1A1SMN1; SMN2HTTNPC1
Iodide SCHEMBL10537076 0.78 NPC1 (0.52) MAPTALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL10537062 0.74 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL5701141 0.74 INSR (0.61) MAPTALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL15704577 0.74 POLB (0.54) MAPTALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL5701145 0.74 INSR (0.61) MAPTALDH1A1SMN1; SMN2HTTNPC1
Perchlorate SCHEMBL1532916 0.72 HTT (0.60) MAPTALDH1A1SMN1; SMN2HTTNPC1
Perchlorate SCHEMBL1532917 0.72 HTT (0.60) MAPTALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL13708329 0.72 NPC1 (0.43) MAPTALDH1A1SMN1; SMN2HTTNPC1

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
US-4804599-A BENZOTHIAZOLE OR BEXZOSELENAZOLE HOLOGRAPHIC MATERIALS CIBA-GEIGY AG (SE) 1989-02-14 — — US disclosed
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