SCHEMBL9853310

SCHEMBL9853310

CCC(=O)c1cn(C2CC2)c2cc(-c3cc(C)nc(CO)c3)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 13/20 0.47
TOP2B Q02880 13/20 0.47
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL9853309 0.92 TOP2A (0.46) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL9720558 0.91 TOP2A (0.57) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL9720466 0.90 TOP2A (0.45) TOP2ATOP2BKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL9720598 0.89 TOP2A (0.45) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL9720481 0.83 TOP2A (0.56) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL9720548 0.82 TOP2A (0.55) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL7866482 0.82 TOP2A (0.67) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL9720493 0.82 TOP2A (0.53) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL9720459 0.82 TOP2A (0.45) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL7862768 0.81 TOP2A (0.52) TOP2ATOP2BKDM4EALDH1A1LMNA

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
EP-0417669-A2 Pyridinyl-quinolone compounds, their preparation and use STERLING WINTHROP INC. (US) 1991-03-20 EP disclosed