SCHEMBL10401294

SCHEMBL10401294

O=C(O)c1cn(C2CC2)c2c(C(F)(F)F)c(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.62
TOP2B Q02880 6/20 0.62
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 4/20 0.62
HPGD P15428 4/20 0.62
HSD17B10 Q99714 4/20 0.62
LMNA P02545 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
KCNH2 Q12809 5/20 0.57
POLB P06746 2/20 0.57
OPRM1 P35372 2/20 0.57
PRKD3 O94806 1/20 0.57
ALOX15 P16050 1/20 0.57
CLK2 P49760 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
OPRD1 P41143 1/20 0.55

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
SCHEMBL10401157 0.88 KDM4E (0.59) TOP2ATOP2BALDH1A1KDM4EHPGD
SCHEMBL27513354 0.88 ALDH1A1 (0.55) TOP2ATOP2BALDH1A1KDM4EHPGD
SCHEMBL10401420 0.88 ALDH1A1 (0.75) TOP2ATOP2BALDH1A1KDM4EHPGD
SCHEMBL8616936 0.88 ALDH1A1 (0.66) TOP2ATOP2BALDH1A1KDM4EHPGD
SCHEMBL29638251 0.88 ALDH1A1 (0.66) TOP2ATOP2BALDH1A1KDM4EHPGD
SCHEMBL9478966 0.87 TOP2A (0.63) TOP2ATOP2BALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL10400652 0.87 ALDH1A1 (0.65) TOP2ATOP2BALDH1A1KDM4EHPGD
SCHEMBL8061803 0.87 ALDH1A1 (0.53) TOP2ATOP2BALDH1A1KDM4EHPGD
SCHEMBL5570963 0.86 ALDH1A1 (0.72) TOP2ATOP2BALDH1A1KDM4EHPGD
SCHEMBL9676493 0.86 KCNH2 (0.68) TOP2ATOP2BALDH1A1KDM4EHPGD

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-4803205-A Quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-02-07 US claimed
US-4933335-A Quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1990-06-12 US disclosed
EP-0302525-A2 Quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-02-08 EP disclosed
US-4803205-A Quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-02-07 US disclosed
US-4780468-A 8-trifluoromethyl quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1988-10-25 US disclosed