SCHEMBL21845673

SCHEMBL21845673

N/C(=N\C(=N/Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 12/20 0.40
▸ GRIN1 Q05586 6/20 0.40
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PDK2 Q15119 4/20 0.33
▸ GRIN2D O15399 3/20 0.32
▸ GRIN3B O60391 3/20 0.32
▸ GRIN2A Q12879 3/20 0.32
▸ GRIN2C Q14957 3/20 0.32
▸ GRIN3A Q8TCU5 3/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 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
SCHEMBL21845477 0.87 GRIN2B (0.36) GRIN2BGRIN1OPRK1GRIN2DGRIN3B
SCHEMBL21845610 0.86 PDK2 (0.43) GRIN2BGRIN1KDM4EPDK2GRIN2D
SCHEMBL21845657 0.85 GRIN2B (0.36) GRIN2BGRIN1PDK2GRIN2DGRIN3B
SCHEMBL21845624 0.85 GRIN2B (0.38) GRIN2BGRIN1PDK2
SCHEMBL21845606 0.84 GRIN2B (0.37) GRIN2BGRIN1MEN1MAPTKMT2A
SCHEMBL21455604 0.84 GRIN2B (0.43) GRIN2BGRIN1KDM4EMEN1LMNA
SCHEMBL21845635 0.83 GRIN2B (0.40) GRIN2BGRIN1MEN1MAPTKMT2A
SCHEMBL19677380 0.82 GRIN2B (0.40) GRIN2BGRIN1PDK2GRIN2DGRIN3B
SCHEMBL26166960 0.78 GRIN2B (0.46) GRIN2BGRIN1PDK2GRIN2DGRIN3B
SCHEMBL21230782 0.78 GRIN2D (0.33) GRIN2BGRIN1PDK2GRIN2DGRIN3B

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-2748878-B1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2020-04-01 — — EP disclosed
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