SCHEMBL21845658

SCHEMBL21845658

N=C(/N=C(\N)c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 3/20 0.50
▸ PRSS2 P07478 2/20 0.50
▸ PRSS3 P35030 2/20 0.50
▸ WDR5 P61964 1/20 0.46
▸ DHODH Q02127 3/20 0.44
▸ KMO O15229 1/20 0.39
▸ GRIN2B Q13224 2/20 0.38
▸ F2 P00734 2/20 0.38
▸ F10 P00742 2/20 0.38
▸ F12 P00748 1/20 0.38
▸ F7 P08709 1/20 0.38
▸ F3 P13726 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.37

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
SCHEMBL24037116 0.95 PRSS1 (0.53) PRSS1PRSS2PRSS3WDR5DHODH
SCHEMBL15004143 0.84 PRSS1 (0.62) PRSS1PRSS2PRSS3WDR5DHODH
SCHEMBL19791258 0.84 PRSS1 (0.62) PRSS1PRSS2PRSS3WDR5DHODH
SCHEMBL23568075 0.84 PRSS1 (0.49) PRSS1PRSS2PRSS3WDR5DHODH
SCHEMBL19871610 0.84 PRSS1 (0.62) PRSS1PRSS2PRSS3WDR5DHODH
SCHEMBL21599352 0.81 WDR5 (0.59) PRSS1PRSS2PRSS3WDR5GRIN2B
SCHEMBL24747308 0.81 PRSS1 (0.59) PRSS1PRSS2PRSS3WDR5DHODH
SCHEMBL21707252 0.81 PRSS1 (0.59) PRSS1PRSS2PRSS3WDR5DHODH
SCHEMBL22271165 0.80 WDR5 (0.57) PRSS1PRSS2PRSS3WDR5GRIN2B
SCHEMBL19791251 0.80 WDR5 (0.57) PRSS1PRSS2PRSS3WDR5GRIN2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627730-B1 FORMULATIONS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2020-05-06 — — EP disclosed
EP-2748878-B1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2020-04-01 — — EP disclosed
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