Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11516033

CN(C)/C=C/c1sc2cc([N+](=O)[O-])ccc2[n+]1C.[Cl-]

nearest known ligand 0.68

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
▸ INSR P06213 9/20 0.68
▸ HTT P42858 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ PDK1 Q15118 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 SCHEMBL11516037 1.00 INSR (0.68) INSRHTTRAB9AMAPTALDH1A1
Hydrochloric Acid SCHEMBL11516284 0.79 INSR (0.64) INSRHTTRAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL11516293 0.79 INSR (0.64) INSRHTTRAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL11516045 0.78 INSR (0.51) INSRHTTRAB9AMAPTALDH1A1
Hydrochloric Acid SCHEMBL11515186 0.78 INSR (0.59) INSRHTTRAB9AMAPTADRB2
Hydrochloric Acid SCHEMBL11516042 0.78 INSR (0.51) INSRHTTRAB9AMAPTALDH1A1
Hydrochloric Acid SCHEMBL11515189 0.78 INSR (0.59) INSRHTTRAB9AMAPTADRB2
Hydrochloric Acid SCHEMBL11516421 0.75 INSR (0.60) INSRHTTRAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL11516423 0.75 INSR (0.60) INSRHTTRAB9AMAPTSMN1; SMN2
SCHEMBL5675183 0.74 INSR (0.53) INSRHTTRAB9AMAPTALDH1A1

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-4145537-A BENZOTHIAZOLIUM DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 — — US disclosed
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