SCHEMBL17253993

SCHEMBL17253993

N/C(=N\Cc1ccccc1)c1cccc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 13/20 0.43
▸ GRIN1 Q05586 3/20 0.43
▸ MAPT P10636 3/20 0.33
▸ PMM2 O15305 1/20 0.33
▸ MPI P34949 1/20 0.33
▸ PHOSPHO1 Q8TCT1 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ FOLH1 Q04609 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL26047254 0.86 ALOX5 (0.43) GRIN2BGRIN1PMM2MPIPHOSPHO1
SCHEMBL26053118 0.84 MAPT (0.32) GRIN2BMAPTPMM2MPIPHOSPHO1
SCHEMBL26047031 0.84 ALOX5 (0.43) GRIN2BGRIN1PMM2MPIPHOSPHO1
SCHEMBL26047429 0.83 GRIN2B (0.41) GRIN2BGRIN1PMM2MPIPHOSPHO1
SCHEMBL17299801 0.80 — —
SCHEMBL24675388 0.80 MAPT (0.41) MAPTTP53RAB9A
SCHEMBL17246458 0.79 KDM4E (0.43) MAPTTP53RAB9A
SCHEMBL18977974 0.79 PMM2 (0.35) GRIN2BGRIN1MAPTPMM2MPI
SCHEMBL26043971 0.78 NPY5R (0.38) MAPTPMM2MPIPHOSPHO1TP53
SCHEMBL17775585 0.78 GRIN2B (0.46) GRIN2BGRIN1PMM2MPIPHOSPHO1

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
WO-2015170882-A1 MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-11-12 — — WO disclosed
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