SCHEMBL19049033

SCHEMBL19049033

Nc1ccc(C2C=CC=CN2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.37
DRD3 P35462 4/20 0.37
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
DRD4 P21917 1/20 0.33
MAP4K4 O95819 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 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
SCHEMBL16867379 0.72 CA12 (0.34)
SCHEMBL4523631 0.68 LMNA (0.33)
SCHEMBL12928288 0.68 CYP1A2 (0.34) SMN1; SMN2
SCHEMBL17664058 0.66 KMT2A (0.37)
SCHEMBL1355472 0.63 TNKS (0.47) DRD2DRD3NOS3NOS2DRD4
SCHEMBL21355196 0.63 DRD2 (0.47) DRD2DRD3NOS3NOS2DRD4
SCHEMBL17108493 0.61 DRD2 (0.45) DRD2DRD3NOS3NOS2DRD4
SCHEMBL11294357 0.61 SLC18A3 (0.47) DRD2DRD3
SCHEMBL7262665 0.61 NPC1 (0.38) SMN1; SMN2KDM4E
SCHEMBL22583349 0.61 KDM4E (0.51) DRD2DRD3NOS3NOS2SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3444860-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2019-02-20 EP disclosed
EP-3185331-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-06-28 EP disclosed