SCHEMBL12954863

SCHEMBL12954863

C=C/C(=N\C(=N/Cc1ccc(CC)cc1)c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 6/20 0.38
▸ GRIN1 Q05586 3/20 0.38
▸ TP53 P04637 1/20 0.36
▸ NOS2 P35228 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ AKT1 P31749 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL26502826 0.72 AKT1 (0.39) AKT1
SCHEMBL20674777 0.71 AKT1 (0.42) GRIN2BGRIN1TP53NOS2ALDH1A1
SCHEMBL25980705 0.69 GRIN2B (0.53) GRIN2BGRIN1NOS2NPC1
SCHEMBL21849981 0.68 BLM (0.43) GRIN2BGRIN1NOS2ALDH1A1MAPT
SCHEMBL22736434 0.68 GRIN2B (0.55) GRIN2BGRIN1NOS2NPC1
SCHEMBL25513989 0.68 ALDH1A1 (0.45) TP53ALDH1A1MEN1KMT2ATDP1
SCHEMBL21391981 0.66 GRIN2B (0.41) GRIN2BGRIN1NOS2NPC1
SCHEMBL18914874 0.65 AKT1 (0.39) ALDH1A1MAPTAKT1ATML3MBTL1
Ethylbenzene SCHEMBL27614422 0.65 AKT1 (0.70) TP53ALDH1A1MAPTAKT1MEN1
SCHEMBL18868783 0.65 AKT1 (0.46) ALDH1A1MAPTAKT1ATMMEN1

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-2275458-A1 CHARGE-TRANSPORTING POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Showa Denko K.K. (JP) 2011-01-19 — — EP disclosed
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