SCHEMBL23905237

SCHEMBL23905237

COc1cc(C)cc2cc(F)c(CO)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 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
TRPV3 Q8NET8 1/20 0.34
CRHR1 P34998 6/20 0.33
P2RX7 Q99572 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
KDR P35968 1/20 0.32
JAK3 P52333 1/20 0.32
AURKB Q96GD4 1/20 0.32
SMPD3 Q9NY59 1/20 0.32
ERN1 O75460 1/20 0.32
FGFR1 P11362 3/20 0.32
FGFR3 P22607 2/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL23904820 0.80 PTGS2 (0.46)
SCHEMBL23904780 0.79 KDM4E (0.43) ALDH1A1
SCHEMBL23905741 0.78 HSD17B2 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL23905740 0.69 HSD17B2 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL8350917 0.68 ACHE (0.38) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL23904743 0.67 CCR1 (0.52) ACHECRHR1ERN1ALDH1A1
SCHEMBL26567099 0.67 ACHE (0.41) ACHECRHR1ALDH1A1
SCHEMBL24028393 0.67 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DTRPV3
SCHEMBL15725791 0.66 PDE4A (0.47) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL30212751 0.66 NPC1 (0.34) PDE4APDE4BPDE4CPDE4DTRPV3

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed