SCHEMBL23430367

SCHEMBL23430367

C=C(/C=C\C=S)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
MMP3 P08254 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PTPN1 P18031 1/20 0.39
CDC25B P30305 1/20 0.39
PLK1 P53350 1/20 0.39
GPR52 Q9Y2T5 1/20 0.37
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 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
SCHEMBL19369310 0.77 PTK2B (0.50) PTK2BL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL7941531 0.76 PTK2B (0.52) PTK2BL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL1869296 0.75 PTK2B (0.59) PTK2BL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL833120 0.74 PTK2B (0.55) PTK2BL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL22851259 0.69 PTK2B (0.49) PTK2BL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL5999394 0.69 PTK2B (0.57) PTK2BL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL146735 0.69 NR4A1 (0.61) PTK2BL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL1933651 0.68 NR4A1 (0.55) PTK2BL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL31371895 0.68 NR4A1 (0.55) PTK2BL3MBTL1NR4A1NR4A2NR4A3
Benzene SCHEMBL28192675 0.68 NR4A1 (0.55) PTK2BL3MBTL1NR4A1NR4A2NR4A3

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
EP-3828161-A2 ORGANIC ELECTROLUMINESCENCE DEVICE AND DIAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE Samsung Display Co., Ltd. (KR) 2021-06-02 EP disclosed