Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9524285

CCC[n+]1cc(Br)cc(C(=O)Nc2ccc(CCOC(=O)NC(C)CCOC(=O)Nc3cccc4ccccc34)cc2)c1.[Cl-]

nearest known ligand 0.41

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 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABCG2 Q9UNQ0 3/20 0.35
MEN1 O00255 1/20 0.35
TRPV1 Q8NER1 5/20 0.34
CTSK P43235 1/20 0.34
ALOX15 P16050 1/20 0.34
ANPEP P15144 1/20 0.33
P2RY1 P47900 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
POLB P06746 1/20 0.33

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 SCHEMBL9528487 0.96 KDM4E (0.41) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9524118 0.95 ALDH1A1 (0.39) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL10581336 0.94 ALDH1A1 (0.39) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9525744 0.93 ALDH1A1 (0.44) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9525940 0.91 ALDH1A1 (0.38) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9528303 0.89 ALDH1A1 (0.42) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9524807 0.89 ALDH1A1 (0.42) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9524106 0.85 ALDH1A1 (0.40) ALDH1A1HPGDKMT2AABCG2MEN1
SCHEMBL9525576 0.84 TSHR (0.45) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9525026 0.83 KMT2A (0.40) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301751-B1 PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
US-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed
EP-0301751-A1 Pyridinium derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-01 EP disclosed