SCHEMBL8317658

SCHEMBL8317658

O=C(O)c1cn(C2CC2F)c2c(O)c(-c3ccc4c(c3)CNC4)c(F)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 12/20 0.49
TOP2B Q02880 12/20 0.49
KDM4E B2RXH2 5/20 0.37
CYP1A2 P05177 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 1/20 0.36
POLB P06746 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
ALB P02768 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL7010651 1.00 TOP2A (0.49) TOP2ATOP2BKDM4ECYP1A2SMN1; SMN2
SCHEMBL8323568 0.92 TOP2A (0.57) TOP2ATOP2BKDM4ECYP1A2SMN1; SMN2
SCHEMBL8323564 0.92 TOP2A (0.57) TOP2ATOP2BKDM4ECYP1A2SMN1; SMN2
SCHEMBL7010327 0.90 TOP2A (0.46) TOP2ATOP2BKDM4ECYP1A2SMN1; SMN2
SCHEMBL8322753 0.90 TOP2A (0.46) TOP2ATOP2BKDM4ECYP1A2SMN1; SMN2
SCHEMBL8325246 0.90 TOP2A (0.46) TOP2ATOP2BKDM4ECYP1A2SMN1; SMN2
SCHEMBL7012465 0.90 TOP2A (0.46) TOP2ATOP2BKDM4ECYP1A2SMN1; SMN2
SCHEMBL7008547 0.89 TOP2A (0.63) TOP2ATOP2BKDM4ECYP1A2ALDH1A1
SCHEMBL8319180 0.88 CYP3A4 (0.45) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL7009159 0.88 CYP3A4 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed