SCHEMBL21231111

SCHEMBL21231111

C=N/C(=N\C(=N/Cc1ccccc1)c1ccc2c(-c3ccccc3)c3ccccc3c(-c3cccc4ccccc34)c2c1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.35
▸ GRIN2B Q13224 2/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ IDO1 P14902 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
SCHEMBL21230751 0.94 GRIN2B (0.36) SIGMAR1GRIN2BGRIN1IDO1
SCHEMBL20832374 0.94 SIGMAR1 (0.32) SIGMAR1GRIN2B
SCHEMBL20832228 0.93 GRIN2B (0.37) SIGMAR1GRIN2BGRIN1
SCHEMBL20832102 0.89 GRIN1 (0.33) SIGMAR1GRIN2BGRIN1
SCHEMBL20832376 0.85 GRIN2B (0.42) SIGMAR1GRIN2BGRIN1
SCHEMBL20832372 0.84 GRIN2B (0.42) SIGMAR1GRIN2BGRIN1IDO1
SCHEMBL20832512 0.84 GRIN2B (0.36) GRIN2BGRIN1
SCHEMBL20832135 0.80 GRIN2B (0.38) GRIN2BGRIN1
SCHEMBL25726852 0.74 GRIN2B (0.33) SIGMAR1GRIN2BGRIN1
SCHEMBL20617241 0.73 GRIN2B (0.44) GRIN2BGRIN1

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-2371016-B1 ORGANIC LIGHT EMITTING EVICES COMPRISING TRIAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2019-08-07 — — EP disclosed
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