SCHEMBL697648

SCHEMBL697648

c1ccc2c(c1)Oc1ccccc1-n1nccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.41
P2RX4 Q99571 10/20 0.41
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
SETD7 Q8WTS6 1/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
HDAC3 O15379 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
HDAC4 P56524 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32

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
SCHEMBL11846839 0.70 KCNN4 (0.51)
SCHEMBL698045 0.69 GPBAR1 (0.41) HSP90AA1P2RX4CYP1A2CYP2D6KDM4E
SCHEMBL695443 0.68 HSP90AA1 (0.39) HSP90AA1SMN1; SMN2GABRG2GABRB3GABRA5
SCHEMBL625870 0.67 HSP90AA1 (0.68) HSP90AA1KDM4ESMN1; SMN2
SCHEMBL11765504 0.66 HTT (0.39) HSP90AA1CYP1A2MAPK1SMN1; SMN2
SCHEMBL31191643 0.65 P2RX4 (0.48) P2RX4SMN1; SMN2
SCHEMBL21691991 0.64 P2RX4 (0.37) P2RX4CYP1A2CYP2D6
SCHEMBL19537981 0.63 MAPK1 (0.61) HSP90AA1P2RX4CYP1A2CYP2D6KDM4E
SCHEMBL5693983 0.63 MAPK1 (0.61) HSP90AA1P2RX4CYP1A2CYP2D6KDM4E
SCHEMBL14212421 0.63 ITGB2 (0.39) SMN1; SMN2GABRG2GABRB3GABRA5

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 3 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-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