SCHEMBL23655127

SCHEMBL23655127

N=C(/C=C\C(=N)c1ccc(-c2cc3ccccc3cc2C(=N)/N=C(\N)c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 4/20 0.34
▸ PLG P00747 4/20 0.34
▸ F2 P00734 3/20 0.34
▸ KLK1 P06870 2/20 0.34
▸ PRSS1 P07477 2/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ PLAT P00750 2/20 0.34
▸ F10 P00742 1/20 0.34
▸ WDR5 P61964 1/20 0.33
▸ GRIN2B Q13224 2/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 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
SCHEMBL20404992 0.81 CYP11B1 (0.42) PLAUPLGF2PRSS1KLKB1
SCHEMBL20404836 0.77 PDK2 (0.33) —
SCHEMBL20404840 0.76 PDK2 (0.34) PRSS1PRSS2PRSS3
SCHEMBL20407032 0.75 APP (0.40) F2F10GAA
SCHEMBL20405155 0.74 HDAC3 (0.32) —
SCHEMBL20405131 0.73 LTB4R2 (0.32) —
SCHEMBL22061206 0.72 PLAU (0.47) PLAUPLGF2KLK1PRSS1
SCHEMBL24031192 0.72 PLAU (0.47) PLAUPLGF2KLK1PRSS1
SCHEMBL18819259 0.72 PTGS2 (0.39) PLAUPLGF2KLK1PRSS1
SCHEMBL20405304 0.72 PRSS1 (0.35) PLAUPLGF2KLK1PRSS1

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-3351536-B1 ORGANIC LIGHT-EMITTING DEVICE LG CHEMICAL LTD (KR) 2021-07-21 — — EP disclosed
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