SCHEMBL9079885

SCHEMBL9079885

CC1CSc2c(N3CCNC4(CC4)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.54
TOP2B Q02880 2/20 0.54
KDM4E B2RXH2 11/20 0.49
ADRA2B P18089 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 8/20 0.48
HPGD P15428 7/20 0.48
HSD17B10 Q99714 7/20 0.48
POLB P06746 3/20 0.47
KCNH2 Q12809 3/20 0.47
OPRM1 P35372 2/20 0.47
PRKD3 O94806 1/20 0.47
ALOX15 P16050 1/20 0.47
CLK2 P49760 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.47
ALB P02768 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
AADAT Q8N5Z0 2/20 0.46

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
SCHEMBL9079887 1.00 TOP2A (0.54) TOP2ATOP2BKDM4EADRA2BMAPK1
SCHEMBL9080242 0.97 TOP2A (0.53) TOP2ATOP2BKDM4EADRA2BMAPK1
SCHEMBL9080247 0.97 TOP2A (0.53) TOP2ATOP2BKDM4EADRA2BMAPK1
SCHEMBL8921051 0.87 TOP2A (0.60) TOP2ATOP2BKDM4EADRA2BMAPK1
SCHEMBL9079291 0.84 LMNA (0.48) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL9079284 0.84 LMNA (0.48) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL9080919 0.83 ALDH1A1 (0.57) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL9080479 0.83 KDM4E (0.69) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL9080476 0.83 KDM4E (0.69) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL9079798 0.82 LMNA (0.47) TOP2ATOP2BKDM4EALDH1A1HPGD

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
US-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP disclosed