SCHEMBL6359222

SCHEMBL6359222

CN(C)c1ccc([N+]#N)cc1.[O-][Cl+2]([O-])[O-].[Zn]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
TSHR P16473 6/20 0.46
ALOX15 P16050 4/20 0.46
HSD17B10 Q99714 4/20 0.46
MAPK1 P28482 5/20 0.38
CYP3A4 P08684 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 5/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
SLC2A1 P11166 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2A13 Q16696 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HBB P68871 2/20 0.33
APP P05067 1/20 0.33

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
Zinc Ion SCHEMBL6359221 0.98 ALDH1A1 (0.48) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL7023406 0.89 ALDH1A1 (0.52) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL7023410 0.89 ALDH1A1 (0.52) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL10975472 0.89 ALDH1A1 (0.52) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL167901 0.89 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL9859581 0.87 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL1884245 0.87 ALDH1A1 (0.55) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL10932536 0.87 ALDH1A1 (0.55) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL9859587 0.85 ALDH1A1 (0.52) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL10934676 0.85 ALDH1A1 (0.52) ALDH1A1TSHRALOX15HSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050243428-A1 Optical functional sheet TAKAHASHI HIROMITSU 2005-11-03 US disclosed
US-6937399-B2 Optical functional sheet TORAY INDUSTRIES, INC. (JP) 2005-08-30 US disclosed
US-20040047042-A1 Optical functional sheet TORAY INDUSTRIES, INC. (JP) 2004-03-11 US disclosed
EP-1369711-A1 OPTICAL FUNCTIONAL SHEET TORAY INDUSTRIES, INC. (JP) 2003-12-10 EP disclosed