SCHEMBL21707252

SCHEMBL21707252

N=C(/N=C(\N)c1ccc(-c2ccccc2)cc1)c1cccc(-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.59
▸ PRSS2 P07478 1/20 0.59
▸ PRSS3 P35030 1/20 0.59
▸ WDR5 P61964 1/20 0.50
▸ GRIN2B Q13224 1/20 0.45
▸ KMO O15229 1/20 0.43
▸ NQO2 P16083 3/20 0.42
▸ DHODH Q02127 2/20 0.41
▸ HDAC8 Q9BY41 1/20 0.40
▸ F10 P00742 3/20 0.40
▸ F2 P00734 2/20 0.40
▸ PLG P00747 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ F12 P00748 1/20 0.38
▸ F7 P08709 1/20 0.38
▸ F3 P13726 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL15004143 0.97 PRSS1 (0.62) PRSS1PRSS2PRSS3WDR5GRIN2B
SCHEMBL24747308 0.94 PRSS1 (0.59) PRSS1PRSS2PRSS3WDR5GRIN2B
SCHEMBL19871610 0.93 PRSS1 (0.62) PRSS1PRSS2PRSS3WDR5KMO
SCHEMBL19791258 0.90 PRSS1 (0.62) PRSS1PRSS2PRSS3WDR5KMO
SCHEMBL22271165 0.90 WDR5 (0.57) PRSS1PRSS2PRSS3WDR5GRIN2B
SCHEMBL19791251 0.90 WDR5 (0.57) PRSS1PRSS2PRSS3WDR5GRIN2B
SCHEMBL24030873 0.89 PLAU (0.49) PRSS1PRSS2PRSS3WDR5GRIN2B
SCHEMBL21599352 0.88 WDR5 (0.59) PRSS1PRSS2PRSS3WDR5GRIN2B
SCHEMBL18967449 0.88 PRSS1 (0.49) PRSS1PRSS2PRSS3GRIN2BF2
SCHEMBL24037116 0.87 PRSS1 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020032428-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT AND ELECTRONIC DEVICE USING SAME 덕산네오룩스 주식회사 2020-02-13 — — WO disclosed
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