SCHEMBL7629326

SCHEMBL7629326

O=[N+]([O-])c1ccc(C2C3=C(CCC3)NC3=C2SCC3)o1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
CASP6 P55212 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.32
PIK3CG P48736 1/20 0.30
RECQL P46063 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6904665 0.82 ABCC9 (0.40) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL7241347 0.78 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL7620062 0.70 MAPT (0.41) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL7236602 0.65 ABCC9 (0.56) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL7625050 0.65 ABCC9 (0.44) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL7232996 0.65 MAPT (0.42) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL6432510 0.65 ABCC9 (0.55) ALDH1A1KMT2AKDM4EMAPTTDP1
SCHEMBL6465855 0.65 ABCC9 (0.51)
SCHEMBL6910686 0.65 ABCC9 (0.55) ALDH1A1KMT2AKDM4EMAPTTDP1
SCHEMBL6431863 0.65 ABCC9 (0.66) ALDH1A1KMT2AKDM4EMAPTTDP1

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-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP claimed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO claimed