SCHEMBL6002267

SCHEMBL6002267

Cc1cc(F)ccc1CC#N.Cc1cc(F)ccc1CCl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX7 Q99572 6/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
KCNA5 P22460 1/20 0.32
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
NR3C2 P08235 1/20 0.31
SLC6A4 P31645 3/20 0.31
MPO P05164 1/20 0.31
CYP2A6 P11509 1/20 0.30
MMP1 P03956 1/20 0.30
HTR2A P28223 1/20 0.30
KCNH2 Q12809 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
SCHEMBL2286658 0.91 P2RX7 (0.38) MAPTTDP1L3MBTL1P2RX7KDM4E
SCHEMBL30849549 0.86 P2RX7 (0.37) P2RX7KDM5AKDM4CKDM5BNR3C2
SCHEMBL4257563 0.86 P2RX7 (0.37) P2RX7KDM5AKDM4CKDM5BNR3C2
SCHEMBL957181 0.77 SLC6A4 (0.40) MAPTTDP1L3MBTL1P2RX7KDM4E
SCHEMBL1096617 0.73 CYP2A6 (0.49) MAPTTDP1L3MBTL1KDM4ESLC6A4
SCHEMBL30641468 0.73 MAPT (0.47) MAPTTDP1L3MBTL1P2RX7KDM4E
SCHEMBL155498 0.73 MAPT (0.47) MAPTTDP1L3MBTL1P2RX7KDM4E
SCHEMBL1822997 0.72 PYCR1 (0.44) MAPTTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL29700948 0.72 IDO1 (0.48) MAPTTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL548158 0.72 IDO1 (0.48) MAPTTDP1L3MBTL1KDM4EALDH1A1

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-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 WO disclosed