SCHEMBL23905367

SCHEMBL23905367

COC(=O)c1cc(O)c2ncc(F)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
LMNA P02545 5/20 0.49
GAA P10253 3/20 0.49
XDH P47989 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
NFKB1 P19838 1/20 0.49
GFER P55789 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
FUT7 Q11130 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTPN11 Q06124 3/20 0.47
PSMD14 O00487 1/20 0.44
ALDH1A1 P00352 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42

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
SCHEMBL23905322 0.85 PTPN11 (0.50) LMNAGAAPTPN11ALDH1A1CA12
SCHEMBL23905372 0.84 KDM4E (0.45) KDM4ELMNAGAAXDHTDP1
SCHEMBL25114201 0.84 KDM4E (0.50) KDM4ELMNAGAAXDHTDP1
SCHEMBL23905294 0.81 PSMD14 (0.40) KDM4ELMNAGAAXDHTDP1
SCHEMBL23905582 0.76 KDM4E (0.51) KDM4ELMNAGAAXDHTDP1
SCHEMBL18031356 0.75 HTT (0.60) KDM4ELMNAGAAXDHTDP1
SCHEMBL29066219 0.73 LMNA (0.51) KDM4ELMNAGAAXDHTDP1
SCHEMBL17442582 0.72 PSMD14 (0.43) KDM4ELMNAGAAXDHTDP1
SCHEMBL2201682 0.72 PSMD14 (0.70) KDM4EXDHPSMD14CA12CA1
SCHEMBL25686436 0.71 KDM4E (0.46) KDM4ELMNAGAAXDHTDP1

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