Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11261314

CCOC(=O)c1cnc2n(c1=O)C(C)CCC2=C[N+](C)(Cl)c1ccccc1.[Cl-]

nearest known ligand 0.42

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
KDM4E B2RXH2 8/20 0.42
MAPT P10636 5/20 0.42
POLB P06746 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 5/20 0.38
TSHR P16473 1/20 0.38
ELANE P08246 1/20 0.38
GAA P10253 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37

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 SCHEMBL11250255 0.90 KDM4E (0.39) KDM4EMAPTPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL11250253 0.90 KDM4E (0.39) KDM4EMAPTPOLBMEN1KMT2A
SCHEMBL11369725 0.79 SMN1; SMN2 (0.42) KDM4EMAPTPOLBMEN1KMT2A
SCHEMBL11369727 0.79 SMN1; SMN2 (0.42) KDM4EMAPTPOLBMEN1KMT2A
SCHEMBL11367036 0.78 KDM4E (0.40) KDM4EMAPTPOLBMEN1KMT2A
SCHEMBL11090997 0.76 KDM4E (0.47) KDM4EMAPTPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL11089322 0.75 KDM4E (0.46) KDM4EMAPTPOLBMEN1KMT2A
SCHEMBL11108580 0.74 KDM4E (0.42) KDM4EMAPTPOLBMEN1KMT2A
SCHEMBL11100821 0.74 KDM4E (0.43) KDM4EMAPTPOLBMEN1KMT2A
SCHEMBL11090768 0.73 PDE4B (0.43) KDM4EMAPTPOLBMEN1KMT2A

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-4321377-A ANALGESICS, TRANQULIZERS, ANTIARTHERISOSCLEROTIC AGENTS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1982-03-23 US disclosed