SCHEMBL21596934

SCHEMBL21596934

COc1cc(OC(F)F)cc2noc(N)c12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GBA1 P04062 1/20 0.34
HPGD P15428 1/20 0.34
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CSF1R P07333 1/20 0.32
PDE2A O00408 2/20 0.32
PDE10A Q9Y233 2/20 0.32
POLB P06746 1/20 0.32
CA4 P22748 1/20 0.30
PDE6D O43924 1/20 0.30
PDE6A P16499 1/20 0.30
PDE6G P18545 1/20 0.30
PDE6B P35913 1/20 0.30
PDE6C P51160 1/20 0.30
PDE6H Q13956 1/20 0.30
CYP3A4 P08684 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
SCHEMBL21596846 0.78 LTB4R (0.34) ALDH1A1KDM4EHPGDCSF1RPDE2A
SCHEMBL21596930 0.75 NQO2 (0.41) ALDH1A1KDM4EPOLBCA4
SCHEMBL21596910 0.73 CA4 (0.30) CA4
SCHEMBL21596936 0.72 ALDH1A1 (0.33) ALDH1A1POLBCA4
SCHEMBL21596927 0.71 FYN (0.41) ALDH1A1KDM4EHPGDPOLB
SCHEMBL21596916 0.69 MLYCD (0.32) ALDH1A1CA4
SCHEMBL21596932 0.68 DCPS (0.51) ALDH1A1KDM4EHPGD
SCHEMBL14183056 0.68 MEN1 (0.40) ALDH1A1KDM4EPDE2APDE10APOLB
SCHEMBL21596914 0.68 MAPT (0.38) ALDH1A1KDM4EGBA1HPGDCYP3A4
SCHEMBL23641248 0.67 PIK3CA (0.38) ALDH1A1CSF1RPDE2APDE10APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed