SCHEMBL24459490

SCHEMBL24459490

Cc1cc(C(=O)CC2CCCCC2)c(C)cc1/N=C(\S)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
LTC4S Q16873 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
P2RX7 Q99572 1/20 0.33
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL24459393 0.86 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL24459436 0.81 L3MBTL3 (0.36) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL24459521 0.80 GABRA1 (0.34) PDE4APDE4BPDE4CPDE4DLTC4S
SCHEMBL30481765 0.80 GABRA1 (0.34) PDE4APDE4BPDE4CPDE4DLTC4S
SCHEMBL24459373 0.79 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL24459348 0.78 GABRA1 (0.37) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL24459350 0.78 GABRA1 (0.34) PDE4APDE4BPDE4CPDE4DLTC4S
SCHEMBL24459394 0.78 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL24459417 0.76 GABRA1 (0.34) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL24459317 0.72 AAK1 (0.44) PDE4APDE4BPDE4CPDE4DGABRA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247788-A1 FUNGICIDAL ARYL AMIDINES Corteva Agriscience LLC (US) 2023-09-27 EP disclosed
WO-2022109361-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-05-27 WO disclosed
WO-2022109361-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-05-27 WO disclosed