Sugi Predict

Sugi Predict / Compounds / SCHEMBL24742667

SCHEMBL24742667

SCHEMBL24742667

N=C(/N=C(\N)c1cccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)c1)c1cccc(-c2cccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 14/20 0.44
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ KMO O15229 1/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ WDR5 P61964 1/20 0.34
▸ DHODH Q02127 1/20 0.34

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
SCHEMBL21937294 0.88 PRSS1 (0.36) PDK2PRSS1PRSS2PRSS3WDR5
SCHEMBL17233969 0.84 PDK2 (0.38) PDK2PRSS1PRSS2PRSS3
SCHEMBL24164034 0.83 PDK2 (0.33) PDK2PRSS1PRSS2PRSS3
SCHEMBL19871610 0.82 PRSS1 (0.62) PRSS1PRSS2PRSS3KMOWDR5
SCHEMBL20405391 0.82 PDK2 (0.36) PDK2PRSS1PRSS2PRSS3
SCHEMBL21707252 0.79 PRSS1 (0.59) PRSS1PRSS2PRSS3KMOWDR5
SCHEMBL24747308 0.79 PRSS1 (0.59) PRSS1PRSS2PRSS3KMOWDR5
SCHEMBL19791258 0.79 PRSS1 (0.62) PRSS1PRSS2PRSS3KMOWDR5
SCHEMBL15004143 0.79 PRSS1 (0.62) PRSS1PRSS2PRSS3KMOWDR5
SCHEMBL26166960 0.78 GRIN2B (0.46) PDK2PRSS1PRSS2PRSS3

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-2022255428-A1 AROMATIC COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOSITION, AND METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT 三菱ケミカル株式会社 2022-12-08 — — WO disclosed
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