SCHEMBL23905710

SCHEMBL23905710

COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(C(F)(F)F)cc4)n2)OC[C@]3(C)C#N)C(F)(F)F)cc2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
RORC P51449 1/20 0.32
MAPT P10636 2/20 0.31
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
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31
PPARD Q03181 1/20 0.30
TRPV1 Q8NER1 2/20 0.30
LMNA P02545 1/20 0.30
EDNRA P25101 1/20 0.30
RAD52 P43351 1/20 0.30
UBE2N P61088 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
SCHEMBL23905707 0.90 POLB (0.35) POLBKMT2AMEN1HPGDRORC
SCHEMBL23905712 0.89 POLB (0.35) POLBKMT2AMEN1HPGDRORC
SCHEMBL23905267 0.89 POLB (0.35) POLBKMT2AMEN1HPGDRORC
SCHEMBL23905452 0.89 POLB (0.34) POLBKMT2AMEN1HPGDRORC
SCHEMBL23905522 0.88 CFTR (0.33)
SCHEMBL24345287 0.88 POLB (0.36) POLBKMT2AMEN1HPGDMAPT
SCHEMBL23905704 0.88 POLB (0.34) POLBKMT2AMEN1HPGDRORC
SCHEMBL24345459 0.86 POLB (0.39) POLBKMT2AMEN1HPGDMAPT
SCHEMBL24984633 0.85 POLB (0.35) POLBKMT2AMEN1HPGDMAPT
SCHEMBL24984639 0.85 POLB (0.35) POLBKMT2AMEN1HPGDMAPT

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