Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9563403

CCOC(=O)c1c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)cc1.[Cl-]

nearest known ligand 0.48

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 19)

geneUniProtsupporting neighboursconfidence
▸ SLC10A2 known ✓ Q12908 2/20 0.44
▸ MAPT P10636 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ GAA P10253 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TP53 P04637 3/20 0.43
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SHMT2 P34897 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ HTT P42858 1/20 0.40

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 SCHEMBL8136074 0.92 SLC10A2 (0.52) MAPTKDM4EGAASLC10A2SMN1; SMN2
Hydrochloric Acid SCHEMBL8131473 0.89 SLC10A2 (0.49) MAPTKDM4EGAASLC10A2SMN1; SMN2
SCHEMBL8132011 0.83 MAPT (0.60) MAPTKDM4EGAAPOLBSLC10A2
SCHEMBL8886500 0.81 GAA (0.52) MAPTKDM4EGAAPOLBSLC10A2
Hydrochloric Acid SCHEMBL8496928 0.80 GAA (0.44) MAPTKDM4EGAAPOLBSLC10A2
Hydrochloric Acid SCHEMBL8133597 0.79 MAPT (0.45) MAPTKDM4EGAAPOLBSLC10A2
SCHEMBL7820772 0.79 GAA (0.50) MAPTKDM4EGAAPOLBSLC10A2
Hydrochloric Acid SCHEMBL8496923 0.78 GAA (0.49) MAPTKDM4EGAAPOLBSLC10A2
SCHEMBL8132831 0.78 KDM4E (0.50) MAPTKDM4EGAAPOLBSLC10A2
SCHEMBL8496920 0.77 GAA (0.47) MAPTKDM4EGAAPOLBSLC10A2

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-0567107-A1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 — — EP disclosed
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