SCHEMBL23905554

SCHEMBL23905554

CC(=O)c1cc(OC2CC2)c2nc(C(F)F)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.42
NR1H4 Q96RI1 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL23905549 0.89 NR1H4 (0.40) ACACBNR1H4
SCHEMBL23905542 0.88 ACACB (0.39) ACACBPDE4B
SCHEMBL20833630 0.72 NPC1 (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL20833809 0.71 CYP2C9 (0.42)
SCHEMBL23905899 0.69 NR1H4 (0.41) NR1H4PDE4APDE4BPDE4CPDE4D
SCHEMBL22945940 0.69 LMNA (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL23905898 0.69 RAB9A (0.38) ACACBNR1H4PDE4APDE4BPDE4C
SCHEMBL23905552 0.69 NPC1 (0.38) NR1H4PDE4APDE4BPDE4CPDE4D
SCHEMBL23905759 0.68 NPC1 (0.38) NR1H4PDE4APDE4BPDE4CPDE4D
SCHEMBL22672605 0.65 TOP2A (0.40) ACACBNR1H4PDE4B

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