SCHEMBL20405196

SCHEMBL20405196

Cc1ccc2cc(-c3c(C(/N=C(\N)c4ccccc4)=N/Cc4ccccc4)ccc4ccccc34)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 8/20 0.42
▸ GRIN1 Q05586 3/20 0.42
▸ SIGMAR1 Q99720 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ SCN2A Q99250 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SCN5A Q14524 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ATP4A P20648 3/20 0.33
▸ ATP4B P51164 3/20 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
SCHEMBL20407034 0.92 GRIN2B (0.43) GRIN2BGRIN1SIGMAR1NOS2SCN2A
SCHEMBL23655171 0.84 BMPR2 (0.39) GRIN2BGRIN1NPC1RAB9APKM
SCHEMBL20404859 0.82 GRIN2B (0.36) GRIN2BGRIN1SIGMAR1
SCHEMBL20405311 0.80 GRIN2B (0.39) GRIN2BGRIN1SIGMAR1L3MBTL1
SCHEMBL20405057 0.78 GRIN2B (0.36) GRIN2BGRIN1SIGMAR1
SCHEMBL20407087 0.78 GRIN2B (0.38) GRIN2BGRIN1SIGMAR1
SCHEMBL24914361 0.78 GRIN2B (0.34) GRIN2BGRIN1SIGMAR1NOS2SCN2A
SCHEMBL23655126 0.78 GRIN2B (0.36) GRIN2BGRIN1SIGMAR1
SCHEMBL24914261 0.77 GRIN2B (0.36) GRIN2BGRIN1SIGMAR1NPC1RAB9A
SCHEMBL20404943 0.76 GRIN2B (0.54) GRIN2BGRIN1SIGMAR1NOS2SCN2A

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-3351536-A1 ORGANIC LIGHT-EMITTING DEVICE LG Chem, Ltd. (KR) 2018-07-25 — — EP disclosed
Send feedback