SCHEMBL24968685

SCHEMBL24968685

CC1(C)c2ccccc2-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4oc5ccc(-c6ccccc6)cc5c34)cc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.34
PLA2G4A P47712 3/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PLA2G10 O15496 1/20 0.33
ALK Q9UM73 1/20 0.33
PDK2 Q15119 1/20 0.31
PRKDC P78527 1/20 0.30

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
SCHEMBL24969354 0.96 PLA2G2A (0.34) PLA2G2APLA2G4APLA2G10ALKPDK2
SCHEMBL24969148 0.95 PLA2G2A (0.33) PLA2G2APLA2G4APLA2G10ALKPDK2
SCHEMBL24969162 0.94 PLA2G2A (0.32) PLA2G2APLA2G4APLA2G10PDK2PRKDC
SCHEMBL26687864 0.93 ALK (0.33) ALK
SCHEMBL26687869 0.92 MAOA (0.35) ALK
SCHEMBL20871760 0.92 PDK2 (0.31) PDK2
SCHEMBL20871764 0.92 PDK2 (0.31) PDK2
SCHEMBL24882938 0.91 PDK2 (0.31) PDK2
SCHEMBL16124287 0.91 ALK (0.33) PLA2G2APLA2G4AALKPDK2
SCHEMBL17126785 0.91 PLA2G2A (0.37) PLA2G2APLA2G4AHSP90AA1HSP90AB1PLA2G10

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-2023003234-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-01-26 WO disclosed