Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7182832

Cn1c([N+](=O)[O-])cnc1-c1cccc(-c2ncc([N+](=O)[O-])n2C)n1.[Cl-].[Cl-].[Cl-].[Nd+3]

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 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.35
CA12 O43570 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
KDR P35968 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34

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 SCHEMBL7181457 0.97 LMNA (0.40) LMNAALDH1A1MAPK1THRBTSHR
Hydrochloric Acid SCHEMBL7182723 0.97 LMNA (0.40) LMNAALDH1A1MAPK1THRBTSHR
Hydrochloric Acid SCHEMBL7175587 0.97 LMNA (0.40) LMNAALDH1A1MAPK1THRBTSHR
Hydrochloric Acid SCHEMBL7174259 0.97 LMNA (0.40) LMNAALDH1A1MAPK1THRBTSHR
Hydrochloric Acid SCHEMBL7173377 0.97 LMNA (0.40) LMNAALDH1A1MAPK1THRBTSHR
Hydrochloric Acid SCHEMBL7176669 0.97 LMNA (0.40) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11822342 0.78 LMNA (0.44) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11717108 0.77 LMNA (0.41) LMNAALDH1A1MAPK1THRBTSHR
Hydrochloric Acid SCHEMBL7183205 0.75 KDM4E (0.38) LMNAMAPK1THRBSMN1; SMN2ATM
SCHEMBL11716547 0.75 LMNA (0.41) LMNAALDH1A1MAPK1THRBTSHR

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-1367069-A1 Process for homo-or copolymerization of conjugated diens DOW GLOBAL TECHNOLOGIES INC. (US) 2003-12-03 EP disclosed