Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6904700

CC(C)(C)c1ccc(-c2cccc3c2C=C([Hf+2]C2=Cc4c(-c5ccc(C(C)(C)C)cc5)cccc4C2c2ccccn2)C3c2ccccn2)cc1.[Cl-].[Cl-]

nearest known ligand 0.36

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
ALDH1A1 P00352 5/20 0.36
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
TRPV1 Q8NER1 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
KIF11 P52732 2/20 0.33
S1PR1 P21453 1/20 0.33
DGAT1 O75907 2/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AKT1 P31749 1/20 0.31
MEN1 O00255 1/20 0.31
NR2F2 P24468 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31

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
SCHEMBL6899133 0.84 ALDH1A1 (0.36) ALDH1A1RAB9ANPC1KMT2AMAPT
Hydrochloric Acid SCHEMBL6904019 0.84 ALDH1A1 (0.36) ALDH1A1RAB9ANPC1KMT2AMAPT
Hydrochloric Acid SCHEMBL6899196 0.84 ALDH1A1 (0.36) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL7121713 0.84 ALDH1A1 (0.36) ALDH1A1RAB9ANPC1KMT2AMAPT
Hydrochloric Acid SCHEMBL6902969 0.76 BRD4 (0.33) RAB9ANPC1S1PR1LMNATP53
Hydrochloric Acid SCHEMBL6902678 0.76 KDM4E (0.30) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL6902702 0.75 TRPV1 (0.39) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL7122880 0.73 TRPV1 (0.39) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL6900002 0.73 TRPV1 (0.39) ALDH1A1RAB9ANPC1KMT2AMAPT
Hydrochloric Acid SCHEMBL6903459 0.73 TRPV1 (0.39) ALDH1A1RAB9ANPC1KMT2AMAPT

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
EP-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed
US-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed