SCHEMBL11811468

SCHEMBL11811468

Cl[Zn](Cl)(Cl)Cl.N#[N+]c1ccccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSD17B10 Q99714 2/20 0.30
HPGD P15428 1/20 0.30
KEAP1 Q14145 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
SCHEMBL725697 0.91
Hydrochloric Acid SCHEMBL7457364 0.88 CYP3A4 (0.45) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL11807036 0.88 CYP3A4 (0.45) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Hydrochloric Acid SCHEMBL9436631 0.86 CYP3A4 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Bromide SCHEMBL10970670 0.86 CYP3A4 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Bromide SCHEMBL10970675 0.86 CYP3A4 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Hydrochloric Acid SCHEMBL9436635 0.86 CYP3A4 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL28298791 0.82 CYP3A4 (0.39) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Bromide SCHEMBL10970672 0.80 ALOX15 (0.38) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Hydrochloric Acid SCHEMBL11051020 0.80 CYP3A4 (0.38) CYP3A4ALOX15CASP1CASP7SMN1; SMN2

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-3992207-A Method of manufacturing a cathode-ray tube for the display of colored images U.S. PHILIPS CORPORATION (US) 1976-11-16 US disclosed