Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7820109

COc1cc2cc3c4ccc5c(c4cc[n+]3cc2cc1OC)OCO5.[Cl-]

nearest known ligand 0.44

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
ACHE known ✓ P22303 2/20 0.39
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
HPGD P15428 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
KDM1A O60341 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
CYP3A4 P08684 2/20 0.42
CYP19A1 P11511 1/20 0.42
NQO2 P16083 1/20 0.42
BAD Q92934 7/20 0.42
EP300 Q09472 9/20 0.41
MAPK1 P28482 3/20 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
SCHEMBL7826567 0.99 MAPT (0.45) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL29502920 0.83 MAPT (0.59) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL7824722 0.79 KDM4E (0.61) MAPTALDH1A1LMNAHPGDKMT2A
Hydrochloric Acid SCHEMBL7812760 0.77 MAPT (0.64) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL7821022 0.76 MAPT (0.65) MAPTALDH1A1LMNAHPGDKMT2A
Hydrochloric Acid SCHEMBL7826957 0.75 CYP3A4 (0.68) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL13349142 0.74 MAPT (0.46) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL7820317 0.71 ALDH1A1 (0.47) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL10132560 0.69 BAD (0.76) MAPTALDH1A1LMNAHPGDKMT2A
Bromide SCHEMBL11728626 0.69 IDO1 (0.44) MAPTALDH1A1LMNAHPGDKMT2A

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-0888346-B1 CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS UNIV RUTGERS (US) 2001-06-06 EP claimed