Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9803384

COc1cc(N(C)C)ccc1[N+]#N.[Cl-].[Cl-].[Zn+]

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
NQO2 P16083 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38

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 SCHEMBL10586111 0.98 NQO2 (0.40) NQO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4600735 0.96 NQO2 (0.41) NQO2TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL9859387 0.95 NQO2 (0.38) NQO2TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL10951682 0.81 NQO2 (0.41) NQO2TUBB4ATUBBTUBA3CTUBA1B
Trifluoromethanesulfonic Acid SCHEMBL10438998 0.81 HSP90AA1 (0.41) NQO2TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL10583282 0.80 PDE4A (0.38) ALDH1A1HSD17B10KDM4EHPGDGAA
Hydrochloric Acid SCHEMBL8498491 0.78 CA1 (0.54) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL14007403 0.78 LMNA (0.31) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL3316223 0.78 ALDH1A1 (0.54) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL14556505 0.77 ALDH1A1 (0.39) NQO2TUBB4ATUBBTUBA3CTUBA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985344-A Radiation imaging process for forming pattern without alkali-soluble polymer underlayer and water soluble radiation-sensitive diazonium salt overlayer HITACHI, LTD. (JP) 1991-01-15 US disclosed
US-4983500-A Resolution, contrast HITACHI, LTD. (JP) 1991-01-08 US disclosed