SCHEMBL7906381

SCHEMBL7906381

COc1cc(-c2nnc3c(=O)[nH]c4cc(C(=O)N5Cc6ccccc6CC5O)c(C)cc4n23)cc(F)c1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
PDE9A O76083 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
G6PD P11413 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BCL2 P10415 6/20 0.33
NR1D1 P20393 3/20 0.32
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL14826749 1.00 POLB (0.33) POLBPDE9AKDM4EALDH1A1MAPT
SCHEMBL12044353 0.91 BCL2 (0.38) BCL2NR1D1
SCHEMBL7902984 0.89 TRAP1 (0.37) POLBPDE9AKDM4EALDH1A1MAPT
SCHEMBL10186501 0.87 KMT2A (0.41) POLBKDM4EALDH1A1MAPTHPGD
SCHEMBL7899542 0.82 TRPM8 (0.36) POLBALDH1A1MAPTHPGDMEN1
SCHEMBL7905949 0.80 TP53 (0.35) MAPT
SCHEMBL7907359 0.79 HSP90AA1 (0.41) POLBKDM4EALDH1A1MAPTG6PD
SCHEMBL7912548 0.79 ROCK2 (0.43) PDE9AALDH1A1HPGDTDP1MEN1
SCHEMBL7907361 0.78 KRAS (0.37) POLBKDM4EALDH1A1MAPTG6PD
SCHEMBL7908855 0.74 PDE2A (0.37) MAPTHSD11B1

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
WO-2010101230-A1 QUINOXALINE COMPOUNDS アステラス製薬株式会社 (JP) 2010-09-10 WO disclosed