SCHEMBL24459348

SCHEMBL24459348

C=Nc1cc(C)c(C(=O)CC2CCCC2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
P2RX7 Q99572 1/20 0.35
NPC1 O15118 1/20 0.34
NR2F2 P24468 1/20 0.34

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
SCHEMBL24459417 0.97 GABRA1 (0.34) GABRA1GABRB2RAB9AMEN1KMT2A
SCHEMBL24459394 0.82 PDE4A (0.36) GABRA1GABRB2RAB9AMEN1KMT2A
SCHEMBL24459563 0.82 P2RX7 (0.32) RAB9AMEN1KMT2AP2RX7
SCHEMBL24459373 0.81 PDE4A (0.36) GABRA1GABRB2RAB9AMEN1KMT2A
SCHEMBL24459393 0.81 PDE4A (0.36) GABRA1GABRB2RAB9AMEN1KMT2A
SCHEMBL24459350 0.80 GABRA1 (0.34) GABRA1GABRB2RAB9AMEN1KMT2A
SCHEMBL24459244 0.78 GABRA1 (0.35) GABRA1GABRB2RAB9AMEN1KMT2A
SCHEMBL24459530 0.78 GABRA1 (0.35) GABRA1GABRB2RAB9AMEN1KMT2A
SCHEMBL24459490 0.78 PDE4A (0.34) GABRA1GABRB2RAB9AMEN1KMT2A
SCHEMBL26978706 0.78 AAK1 (0.42) GABRA1GABRB2RAB9AMEN1KMT2A

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-2022109361-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-05-27 WO disclosed