SCHEMBL23905267

SCHEMBL23905267

COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(C(F)(F)F)cc4)n2)OCC3(C)C(N)=O)C(F)(F)F)cc2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
EDNRA P25101 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31
RORC P51449 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL23905712 1.00 POLB (0.35) POLBMAPTKMT2ALMNAMEN1
SCHEMBL24986770 0.94 POLB (0.37) POLBMAPTKMT2ALMNAMEN1
SCHEMBL24984626 0.93 SMN1; SMN2 (0.30)
SCHEMBL24984624 0.93 SMN1; SMN2 (0.30)
SCHEMBL24984631 0.92 POLB (0.34) POLBMAPTKMT2ALMNAMEN1
SCHEMBL24984632 0.92 POLB (0.34) POLBMAPTKMT2ALMNAMEN1
SCHEMBL23904906 0.90 MAPT (0.33) POLBMAPTROCK2ROCK1PDE4B
SCHEMBL23905707 0.90 POLB (0.35) POLBMAPTKMT2ALMNAMEN1
SCHEMBL24986046 0.90 POLB (0.33) POLBMAPTKMT2ALMNAMEN1
SCHEMBL23905669 0.90 POLB (0.36) POLBMAPTKMT2ALMNAMEN1

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