SCHEMBL4356329

SCHEMBL4356329

CN(C)c1ccc(N)cc1.[Pb]

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.94
CYP3A4 P08684 5/20 0.94
MAPK1 P28482 5/20 0.94
TDP1 Q9NUW8 4/20 0.94
ALOX15 P16050 3/20 0.94
TP53 P04637 2/20 0.94
TSHR P16473 6/20 0.65
HSD17B10 Q99714 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.50
PSMD14 O00487 1/20 0.50
RECQL P46063 1/20 0.50
GFER P55789 1/20 0.50
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL8468934 0.97 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1TDP1ALOX15
SCHEMBL15246 0.97 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1TDP1ALOX15
Bromide SCHEMBL2353262 0.94 ALDH1A1 (0.94) ALDH1A1CYP3A4MAPK1TDP1ALOX15
Ammonia Solution, Strong SCHEMBL28575167 0.94 ALDH1A1 (0.94) ALDH1A1CYP3A4MAPK1TDP1ALOX15
Hydrochloric Acid SCHEMBL309541 0.94 ALDH1A1 (0.94) ALDH1A1CYP3A4MAPK1TDP1ALOX15
Water SCHEMBL6142579 0.94 ALDH1A1 (0.94) ALDH1A1CYP3A4MAPK1TDP1ALOX15
Hydrochloric Acid SCHEMBL971113 0.94 ALDH1A1 (0.94) ALDH1A1CYP3A4MAPK1TDP1ALOX15
Bromide SCHEMBL20661275 0.92 ALDH1A1 (0.89) ALDH1A1CYP3A4MAPK1TDP1ALOX15
Hydrochloric Acid SCHEMBL9805647 0.92 ALDH1A1 (0.89) ALDH1A1CYP3A4MAPK1TDP1ALOX15
Benzene SCHEMBL28123318 0.92 ALDH1A1 (0.89) ALDH1A1CYP3A4MAPK1TDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429400-B1 MODIFIED POLYVINYL ACETAL RESIN SEKISUI CHEMICAL CO LTD (JP) 2009-08-26 EP disclosed
US-20040260020-A1 Obtained by acetalizing a modified polyvinyl alcohol having ethylene in a random basis as a constituent unit of a main chain and an ethylene content of 1 to 20 mole % and a saponification degree of 80 mole % or more; improved flexibility and adhesion under high humidity; ceramic green sheets, inks SEKISUI CHEMICAL CO., LTD. (JP) 2004-12-23 US disclosed
EP-1429400-A1 MODIFIED POLYVINYL ACETAL RESIN SEKISUI CHEMICAL CO., LTD. (JP) 2004-06-16 EP disclosed