SCHEMBL23905459

SCHEMBL23905459

COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(C(F)(F)F)cc4)n2)OCC3C)C(F)(F)F)cc2cccnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
P2RX7 Q99572 3/20 0.34
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 3/20 0.34
MAPT P10636 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
RAD52 P43351 1/20 0.32
UBE2N P61088 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
PSMD14 O00487 1/20 0.32
STAMBP O95630 1/20 0.32
MTTP P55157 1/20 0.31
ACSS2 Q9NR19 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
SCHEMBL24345454 0.94 POLB (0.38) POLBP2RX7KMT2AMEN1HPGD
SCHEMBL24363611 0.94 POLB (0.38) POLBP2RX7KMT2AMEN1HPGD
SCHEMBL23905666 0.90 ROCK2 (0.33) POLBROCK2ROCK1MAPTACSS2
SCHEMBL23905651 0.89 ROCK2 (0.33) P2RX7ROCK2ROCK1MAPT
SCHEMBL23905464 0.89 ROCK2 (0.33) P2RX7ROCK2ROCK1MAPTMTTP
SCHEMBL23905701 0.87 AR (0.35) POLB
SCHEMBL23905426 0.84 AR (0.34) POLBP2RX7
SCHEMBL23905859 0.84 POLB (0.36) POLBP2RX7ROCK2ROCK1MAPT
SCHEMBL23905711 0.82 POLB (0.34) POLBP2RX7ROCK2ROCK1MAPT
SCHEMBL23904817 0.82 LRRK2 (0.34) LMNA

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