Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11568340

Cc1ccc2c(O)ccnc2n1.Cc1ccc2c(O)ccnc2n1.[Cl-].[Cl-].[Ni+2]

nearest known ligand 0.43

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
KMT2A Q03164 4/20 0.43
OPRK1 P41145 1/20 0.43
GAA P10253 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
METAP2 P50579 1/20 0.36
MAPT P10636 2/20 0.36
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
ADORA2A P29274 4/20 0.33
CCR1 P32246 2/20 0.33
CCR5 P51681 2/20 0.33
CCR8 P51685 1/20 0.33
ADORA1 P30542 3/20 0.33
RAB9A P51151 2/20 0.32
GRM5 P41594 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL2025555 0.98 KMT2A (0.44) KMT2AOPRK1GAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11566738 0.96 KMT2A (0.43) KMT2AOPRK1GAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11567075 0.96 KMT2A (0.43) KMT2AOPRK1GAAKDM4EALDH1A1
SCHEMBL11567724 0.96 KMT2A (0.43) KMT2AOPRK1GAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11567780 0.96 KMT2A (0.43) KMT2AOPRK1GAAKDM4EALDH1A1
SCHEMBL11565911 0.91 KMT2A (0.40) KMT2AOPRK1GAAKDM4EALDH1A1
SCHEMBL11564820 0.91 KMT2A (0.40) KMT2AOPRK1GAAKDM4EALDH1A1
SCHEMBL11560640 0.91 KMT2A (0.40) KMT2AOPRK1GAAKDM4EALDH1A1
SCHEMBL11565819 0.91 KMT2A (0.40) KMT2AOPRK1GAAKDM4EALDH1A1
SCHEMBL11564300 0.91 KMT2A (0.40) KMT2AOPRK1GAAKDM4EALDH1A1

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-4169092-A Transition metal-naphthyridine chemical complexes BAYER JOHN W 1979-09-25 US disclosed