SCHEMBL27595286

SCHEMBL27595286

CCc1cc2c([nH]c3ccccc32)c(C=O)c1C=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 0.60
MEN1 O00255 3/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KIF11 P52732 4/20 0.44
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43

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
SCHEMBL27577183 0.90 AHR (0.50) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL647469 0.83 MAPT (0.54) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL11309637 0.79 MAPT (0.51) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL3244334 0.79 KIF11 (0.55) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL28118998 0.76 MEN1 (0.60) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL29440653 0.75 AHR (1.00) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL528520 0.75 AHR (1.00) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL869230 0.75 MAPT (0.54) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL9397454 0.75 KIF11 (0.50) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL1673888 0.74 MAPT (0.47) AHRMEN1MAPTKMT2AKDM4E

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
CN-1453266-A Prepn and application of polyhydrazone as charge transfer material CHINESE ACAD INST CHEMISTRY (CN) 2003-11-05 CN claimed
CN-1453266-A Prepn and application of polyhydrazone as charge transfer material CHINESE ACAD INST CHEMISTRY (CN) 2003-11-05 CN disclosed