Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2524640

CC(Oc1ccc(C(C)(C)CC(C)(C)C)cc1)OC(C)[N+](C)(C)Cc1ccccc1.[Cl-]

nearest known ligand 0.51

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
▸ CHRM2 known ✓ P08172 2/20 0.51
▸ CHRM1 known ✓ P11229 2/20 0.51
▸ CHRM3 known ✓ P20309 2/20 0.51
▸ ACHE known ✓ P22303 2/20 0.51
▸ SLC6A2 known ✓ P23975 2/20 0.51
▸ SLC6A3 known ✓ Q01959 2/20 0.51
▸ BDKRB2 known ✓ P30411 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ TDP1 Q9NUW8 4/20 0.51
▸ CYP3A4 P08684 4/20 0.51
▸ HIF1A Q16665 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ APAF1 O14727 3/20 0.51
▸ USP2 O75604 3/20 0.51
▸ TP53 P04637 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ RAD52 P43351 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ LMNA P02545 3/20 0.51

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 SCHEMBL11139244 0.84 KDM4E (0.43) SMN1; SMN2ALDH1A1TDP1MEN1TP53
Hydrochloric Acid SCHEMBL2524643 0.81 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1TDP1CYP3A4HIF1A
SCHEMBL10878637 0.77 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1CYP3A4HIF1A
Hydrochloric Acid SCHEMBL1627409 0.76 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TDP1CYP3A4HIF1A
Hydrochloric Acid SCHEMBL11179543 0.75 PTGS1 (0.35) ALDH1A1TDP1LMNATSHRACHE
Hydrochloric Acid SCHEMBL11659853 0.74 MEN1 (0.43) SMN1; SMN2TDP1MEN1TP53KMT2A
SCHEMBL9632633 0.73 CYP3A4 (0.46) SMN1; SMN2ALDH1A1TDP1CYP3A4HIF1A
Hydrochloric Acid SCHEMBL11253648 0.73 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1TDP1CYP3A4HIF1A
Hydrochloric Acid SCHEMBL8695973 0.73 MEN1 (0.57) SMN1; SMN2ALDH1A1TDP1CYP3A4HIF1A
SCHEMBL9702929 0.72 PPARG (0.34) SLC6A2SLC6A4SLC6A3PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8292995-B2 Sulfonated dye salts having improved stability SILVERBROOK RESEARCH PTY LTD (AU) 2012-10-23 — — US disclosed
US-8038737-B2 Method of modulating stability of sulfonated dye SILVERBROOK RESEARCH PTY LTD (AU) 2011-10-18 — — US disclosed
US-20090255986-A1 METHOD OF INITIATING ACTION IN COMPUTER SYSTEM VIA ANALOG-PRINTED SUBSTRATE SILVERBROOK RESEARCH PTY LTD 2009-10-15 — — US disclosed
US-20090199352-A1 METHOD OF MODULATING STABILITY OF SULFONATED DYE SILVERBROOK RESEARCH PTY LTD 2009-08-13 — — US disclosed
US-20090202799-A1 SULFONATED DYE SALTS HAVING IMPROVED STABILITY SILVERBROOK RESEARCH PTY LTD 2009-08-13 — — US disclosed
US-7566363-B2 Alternative phthalocyanine dyes suitable for use in offset inks SILVERBROOK RESEARCH PTY LTD (AU) 2009-07-28 — — US disclosed
US-20090035533-A1 ALTERNATIVE PHTHALOCYANINE DYES SUITABLE FOR USE IN OFFSET INKS SILVERBROOK RESEARCH PTY LTD 2009-02-05 — — US disclosed
US-4578489-A MICROBIOCIDES; WATER SOLUBILITY CIBA-GEIGY CORPORATION (US) 1986-03-25 — — US disclosed
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