SCHEMBL8322753

SCHEMBL8322753

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 12/20 0.46
TOP2B Q02880 12/20 0.46
ALDH1A1 P00352 4/20 0.43
POLB P06746 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
KDM4E B2RXH2 5/20 0.37
CYP1A2 P05177 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP2C9 P11712 2/20 0.36
LMNA P02545 1/20 0.36
ALB P02768 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL7010327 1.00 TOP2A (0.46) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL8323564 0.91 TOP2A (0.57) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL8323568 0.91 TOP2A (0.57) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL8317658 0.90 TOP2A (0.49) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL7010651 0.90 TOP2A (0.49) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL8325246 0.89 TOP2A (0.46) TOP2ATOP2BALDH1A1KDM4ECYP1A2
SCHEMBL7012465 0.89 TOP2A (0.46) TOP2ATOP2BALDH1A1KDM4ECYP1A2
SCHEMBL7007995 0.89 TOP2A (0.60) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL7009159 0.87 CYP3A4 (0.45) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8319180 0.87 CYP3A4 (0.45) TOP2ATOP2BALDH1A1POLBOPRM1

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