SCHEMBL626415

SCHEMBL626415

Cc1nc2n(c1C)-c1ccccc1Oc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.40
P2RX4 Q99571 10/20 0.38
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SETD7 Q8WTS6 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL695413 0.84 PDE4B (0.36) PDE4BP2RX4KDM4EMAPTSMN1; SMN2
SCHEMBL10054173 0.71 HPGD (0.55) MAPTNPSR1
SCHEMBL11707694 0.69 HSP90AA1 (0.48) P2RX4KDM4E
SCHEMBL11846839 0.67 KCNN4 (0.51)
SCHEMBL11706984 0.66 P2RX4 (0.38) PDE4BP2RX4KDM4E
SCHEMBL11705102 0.66 ALDH1A1 (0.54) P2RX4MAPK1KDM4EATMCYP1A2
SCHEMBL17994315 0.65 TSHR (0.45) PDE4BP2RX4MAPK1
SCHEMBL23064943 0.63 P2RX4 (0.41) PDE4BP2RX4MAPK1KDM4EATM
SCHEMBL4453866 0.63 P2RX4 (0.46) P2RX4KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL14288741 0.62 NR1H2 (0.58) P2RX4KDM4ESETD7MAPTSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317212-A1 LIGHT EMITTING MATERIALS FOR ELECTRONICS SOLVAY SA (BE) 2013-11-28 US disclosed
EP-2603515-A1 LIGHT EMITTING MATERIALS FOR ELECTRONICS SOLVAY SA (BE) 2013-06-19 EP disclosed
EP-2423214-A1 Light emitting materials for Electronics Solvay SA (BE) 2012-02-29 EP disclosed
EP-2423214-A1 Light emitting materials for Electronics Solvay SA (BE) 2012-02-29 EP disclosed
WO-2012019948-A1 LIGHT EMITTING MATERIALS FOR ELECTRONICS SOLVAY SA (BE) 2012-02-16 WO disclosed
WO-2012019948-A1 LIGHT EMITTING MATERIALS FOR ELECTRONICS SOLVAY SA (BE) 2012-02-16 WO disclosed