Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5607408

CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Ti+2]C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21.[Cl-].[Cl-]

nearest known ligand 0.33

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 17)

geneUniProtsupporting neighboursconfidence
PTAFR known ✓ P25105 1/20 0.32
KIF11 P52732 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
P4HB P07237 2/20 0.32
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
S1PR1 P21453 1/20 0.30
PARP1 P09874 1/20 0.30
DGAT1 O75907 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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 SCHEMBL4460689 0.88 BRD4 (0.34) KIF11BRD4CREBBPP4HB
Hydrochloric Acid SCHEMBL6514429 0.84
Hydrochloric Acid SCHEMBL6324026 0.84 PDCD1 (0.34) BRD4
Hydrochloric Acid SCHEMBL5607325 0.83 BRD4 (0.32) KIF11BRD4CREBBPPTAFR
Hydrochloric Acid SCHEMBL31255983 0.82 KIF11 (0.34) KIF11BRD4CREBBPTSHRNPC1
Hydrochloric Acid SCHEMBL29612278 0.82 KIF11 (0.34) KIF11BRD4CREBBPTSHRNPC1
Hydrochloric Acid SCHEMBL7203230 0.82 KIF11 (0.34) KIF11BRD4CREBBPTSHRNPC1
Hydrochloric Acid SCHEMBL5606398 0.81 KIF11 (0.33) KIF11BRD4CREBBPTSHRNPC1
Hydrochloric Acid SCHEMBL2523909 0.81 KIF11 (0.33) KIF11BRD4CREBBPTSHRNPC1
Hydrochloric Acid SCHEMBL28418788 0.81 KIF11 (0.33) KIF11BRD4CREBBPTSHRNPC1

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-1771484-A1 METHOD FOR PRODUCING ULTRAHIGH MOLECULAR WEIGHT POLYMERS WHILE USING UNBRIDGED METALLOCENE CATALYSTS Ticona GmbH (DE) 2007-04-11 EP disclosed
WO-2006008127-A1 METHOD FOR PRODUCING ULTRAHIGH MOLECULAR WEIGHT POLYMERS WHILE USING UNBRIDGED METALLOCENE CATALYSTS TICONA GMBH (DE) 2006-01-26 WO disclosed