Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7625474

C[n+]1ccn(CCCNc2ccc(N)c(C#N)c2)c1.[Cl-]

nearest known ligand 0.39

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 4/20 0.37
ALDH1A1 P00352 4/20 0.37
POLB P06746 3/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
CLK1 P49759 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
APAF1 O14727 1/20 0.36
PLA2G1B P04054 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36

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 SCHEMBL5537944 0.84 NPC1 (0.40) KDM4EALDH1A1POLBTSHRHPGD
Hydrochloric Acid SCHEMBL7252504 0.83 NPC1 (0.39) KDM4EALDH1A1POLBTSHRHPGD
SCHEMBL2924995 0.82 NPC1 (0.40) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5476492 0.80 MAPT (0.36) KDM4EALDH1A1POLBTSHRHPGD
Hydrochloric Acid SCHEMBL5474632 0.80 NPC1 (0.44) LMNANPC1RAB9ASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL7251372 0.79 MEN1 (0.36) KDM4EALDH1A1POLBTSHRHPGD
SCHEMBL2930590 0.79 MAPT (0.37) KDM4EALDH1A1POLBTSHRHPGD
Hydrochloric Acid SCHEMBL7251861 0.78 SMN1; SMN2 (0.43) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7618817 0.78 SMN1; SMN2 (0.43) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2926247 0.78 SMN1; SMN2 (0.45) LMNANPC1RAB9ASMN1; SMN2MAPK1

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-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 US disclosed