SCHEMBL23905452

SCHEMBL23905452

CCC[C@@]1(C)COc2c1cc(C(O)(CNC(=O)c1cc(OC)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
TRPV1 Q8NER1 6/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
RORC P51449 1/20 0.32
SLC40A1 Q9NP59 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDO2 P48775 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
MAPT P10636 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

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 0.94 POLB (0.35) POLBTRPV1KMT2AMEN1HPGD
SCHEMBL23905704 0.91 POLB (0.34) POLBTRPV1KMT2AMEN1HPGD
SCHEMBL23905267 0.89 POLB (0.35) POLBTRPV1KMT2AMEN1HPGD
SCHEMBL23905712 0.89 POLB (0.35) POLBTRPV1KMT2AMEN1HPGD
SCHEMBL23905710 0.89 POLB (0.34) POLBTRPV1KMT2AMEN1HPGD
SCHEMBL24345458 0.88 POLB (0.37) POLBKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL24345299 0.87 POLB (0.36) POLBKMT2AMEN1HPGDMAPT
SCHEMBL24345459 0.86 POLB (0.39) POLBKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL24985387 0.86 POLB (0.36) POLBKMT2AMEN1HPGDMAPT
SCHEMBL24985386 0.86 POLB (0.36) 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