SCHEMBL23280655

SCHEMBL23280655

C=Cc1ncc(-c2ccc(C)c(CC)c2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 2/20 0.34
▸ WDR77 Q9BQA1 2/20 0.34
▸ PDXK O00764 1/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ GRIN2B Q13224 9/20 0.32
▸ GRIN1 Q05586 4/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ MAP4K1 Q92918 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
SCHEMBL9630722 0.75 HSD17B1 (0.42) NOS3NOS1NOS2
SCHEMBL21613490 0.74 PSMB5 (0.46) MAP4K4PDGFRBPDGFRAAXL
SCHEMBL23319684 0.74 MAP4K4 (0.44) GRIN2BGRIN1MAP4K4
SCHEMBL24011937 0.73 PDGFRB (0.43) MAP4K4PDGFRBPDGFRA
SCHEMBL24011728 0.72 ESR2 (0.47) MAP4K4
SCHEMBL11456047 0.71 PDXK (0.38) PDXKNOS3NOS1NOS2
SCHEMBL2313482 0.70 TDP1 (0.42) AXLMERTK
SCHEMBL24229449 0.67 PDGFRB (0.43) MAP4K4PDGFRBPDGFRA
SCHEMBL7245034 0.66 NOS3 (0.46) PDXKNOS3NOS1NOS2
SCHEMBL13366151 0.65 TNKS2 (0.45) AXLMERTK

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-3227284-B1 PESTICIDALLY ACTIVE AMIDE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-04-28 — — EP disclosed
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