SCHEMBL9079678

SCHEMBL9079678

O=C(O)c1cn(-c2ccc(F)cc2F)c2c(Cl)c(N3CCNC4(CCC4)C3)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.45
TOP1 P11387 7/20 0.45
TOP2B Q02880 3/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 3/20 0.43
HSP90AA1 P07900 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
EPHA2 P29317 1/20 0.42
FLT4 P35916 1/20 0.42
GSK3B P49841 1/20 0.42
RARB P10826 1/20 0.42
TBXAS1 P24557 1/20 0.42
SLC6A3 Q01959 1/20 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
SCHEMBL9079450 0.97 TOP2A (0.46) TOP2ATOP1TOP2BALDH1A1KDM4E
SCHEMBL9080384 0.92 KDM4E (0.49) TOP2ATOP1TOP2BALDH1A1KDM4E
SCHEMBL9078492 0.88 KDM4E (0.48) TOP2ATOP1TOP2BALDH1A1KDM4E
SCHEMBL9078550 0.87 TOP2A (0.46) TOP2ATOP1TOP2BALDH1A1KDM4E
SCHEMBL10769256 0.85 TOP2A (0.59) TOP2ATOP1TOP2BALDH1A1KDM4E
SCHEMBL9078811 0.85 KDM4E (0.49) TOP2ATOP1TOP2BALDH1A1KDM4E
SCHEMBL9077946 0.83 TOP2A (0.39) TOP2ATOP1TOP2BALDH1A1KDM4E
SCHEMBL9079778 0.82 ALDH1A1 (0.44) TOP2ATOP1TOP2BALDH1A1KDM4E
SCHEMBL9078406 0.82 KDM4E (0.54) TOP2ATOP1TOP2BALDH1A1KDM4E
SCHEMBL9080376 0.82 ALDH1A1 (0.63) TOP2ATOP2BALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 EP disclosed