Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11599422

Cc1ccc2c(c1)c(C)cc[n+]2CC(N)=O.[Cl-]

nearest known ligand 0.56

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 11/20 0.56
LMNA P02545 2/20 0.56
RECQL P46063 2/20 0.45
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 1/20 0.37
HSD17B10 Q99714 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
MAPK1 P28482 1/20 0.33
MAP2K4 P45985 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
Bromide SCHEMBL3916333 0.71 KDM4E (0.56) KDM4ELMNARECQLKMT2AMEN1
SCHEMBL10256713 0.67 KDM4E (0.50) KDM4ELMNAKMT2AMEN1ALDH1A1
SCHEMBL5020848 0.66 RECQL (0.73) KDM4ELMNARECQLKMT2AMEN1
SCHEMBL11999964 0.65 KDM4E (0.49) KDM4ELMNAKMT2AMEN1ALDH1A1
SCHEMBL16663888 0.63 RECQL (0.63) KDM4ELMNARECQLKMT2AMEN1
Hydrochloric Acid SCHEMBL1520305 0.62 MEN1 (0.93) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL18774372 0.61 MEN1 (0.44) KDM4ELMNAKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL8749841 0.60 KDM4E (0.35) KDM4ELMNARECQLKMT2AMEN1
Bromide SCHEMBL17075087 0.60 KDM4E (0.49) KDM4ELMNARECQLKMT2AMEN1
SCHEMBL26195059 0.58 TDP1 (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2HTT

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-4108668-A Light-sensitive silver halide photographic materials KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1978-08-22 US disclosed