SCHEMBL7016264

SCHEMBL7016264

CCOC(=O)Oc1cn2c3c(c(F)c(F)cc3c1=O)OCC2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
CNR1 P21554 2/20 0.51
CNR2 P34972 2/20 0.51
KMT2A Q03164 1/20 0.51
TOP2A P11388 4/20 0.49
TOP2B Q02880 4/20 0.49
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 2/20 0.48
ALB P02768 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
TUBB4A P04350 4/20 0.47
TUBB P07437 4/20 0.47
TUBA3C P0DPH7 4/20 0.47
TUBA1B P68363 4/20 0.47
TUBA4A P68366 4/20 0.47
TUBB4B P68371 4/20 0.47
TUBB3 Q13509 4/20 0.47
TUBB2A Q13885 4/20 0.47
TUBB8 Q3ZCM7 4/20 0.47

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
SCHEMBL6240622 0.87 KDM4E (0.55) KDM4ECNR1CNR2KMT2ATOP2A
SCHEMBL4393771 0.87 KDM4E (0.55) KDM4ECNR1CNR2KMT2ATOP2A
SCHEMBL30306119 0.86 TOP2A (0.55) KDM4ECNR1CNR2KMT2ATOP2A
SCHEMBL2339241 0.86 TOP2A (0.55) KDM4ECNR1CNR2KMT2ATOP2A
SCHEMBL5541223 0.86 TOP2A (0.55) KDM4ECNR1CNR2KMT2ATOP2A
SCHEMBL7848826 0.80 TOP2A (0.39) KDM4ECNR1CNR2KMT2ATOP2A
SCHEMBL8206695 0.79 STAT3 (0.38) KDM4ECNR1CNR2KMT2ATOP2A
SCHEMBL8908169 0.79 KDM4E (0.48) KDM4ECNR1CNR2KMT2AALDH1A1
SCHEMBL29406062 0.79 KDM4E (0.72) KDM4ECNR1CNR2KMT2ATOP2A
SCHEMBL2089512 0.79 KDM4E (0.72) KDM4ECNR1CNR2KMT2ATOP2A

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-0963977-B1 Process for the preparation of quinolone- and naphthyridonecarboxylic acids and their esters BAYER AG (DE) 2003-05-07 EP disclosed
EP-0963977-A1 Process for the preparation of quinolone- and naphthyridonecarboxylic acids and their esters Bayer Aktiengesellschaft (DE) 1999-12-15 EP disclosed