SCHEMBL7056576

SCHEMBL7056576

C1=C\C=c2\cccn\c2=c2/nccc/c2=C/1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
MMP2 P08253 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
HIF1A Q16665 2/20 0.35
HSP90AA1 P07900 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MMP9 P14780 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
MMP8 P22894 1/20 0.35
THPO P40225 1/20 0.35

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
SCHEMBL18792573 0.75 KDM4E (0.32) KDM4EMAPTMMP2TSHRLMNA
SCHEMBL18938808 0.75 NOS3 (0.31) HSP90AA1NOS3NOS1NOS2NPC1
Iodide SCHEMBL3908354 0.73 KDM4E (0.31) KDM4EMAPTMMP2TSHRLMNA
SCHEMBL5547347 0.69
SCHEMBL2910235 0.65 KDM4E (0.41) KDM4EMAPTMMP2TSHRLMNA
SCHEMBL9295249 0.65
SCHEMBL28526903 0.59 ALDH1A1 (0.40) KDM4EMAPTMMP2TSHRLMNA
SCHEMBL20516698 0.59 ALDH1A1 (0.40) KDM4EMAPTMMP2TSHRLMNA
SCHEMBL28420418 0.59 ALDH1A1 (0.40) KDM4EMAPTMMP2TSHRLMNA
SCHEMBL14935528 0.59 ALDH1A1 (0.40) KDM4EMAPTMMP2TSHRLMNA

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
US-20030198960-A1 Signal amplifying targeted reporters for biological and chemical sensor applications INTEGRATED NANOSYSTEMS, INC. 2003-10-23 US disclosed