SCHEMBL21707251

SCHEMBL21707251

N=C(/N=C(\N)c1ccc(-c2ccccc2)cc1)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 6/20 0.53
▸ PLG P00747 2/20 0.53
▸ KLK1 P06870 2/20 0.53
▸ PRSS1 P07477 2/20 0.53
▸ F2 P00734 1/20 0.53
▸ KLKB1 P03952 1/20 0.53
▸ WDR5 P61964 1/20 0.47
▸ GRIN2B Q13224 4/20 0.47
▸ GRIN1 Q05586 3/20 0.47
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PLAT P00750 1/20 0.40
▸ ASIC3 Q9UHC3 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ ESR1 P03372 1/20 0.39

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
SCHEMBL25654291 0.94 PLAU (0.50) PLAUPLGKLK1PRSS1F2
SCHEMBL24551121 0.94 PLAU (0.53) PLAUPLGKLK1PRSS1F2
SCHEMBL23946738 0.94 PLAU (0.53) PLAUPLGKLK1PRSS1F2
SCHEMBL23822815 0.94 PLAU (0.53) PLAUPLGKLK1PRSS1F2
SCHEMBL24030873 0.93 PLAU (0.49) PLAUPLGKLK1PRSS1F2
SCHEMBL25008241 0.93 ESR1 (0.46) PLAUPLGKLK1PRSS1F2
SCHEMBL23654435 0.92 PLAU (0.58) PLAUPLGKLK1PRSS1F2
SCHEMBL24031192 0.90 PLAU (0.47) PLAUPLGKLK1PRSS1F2
SCHEMBL22061206 0.90 PLAU (0.47) PLAUPLGKLK1PRSS1F2
SCHEMBL22373743 0.89 PLAU (0.61) PLAUPLGKLK1PRSS1F2

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
WO-2023113575-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-06-22 — — WO disclosed
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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