SCHEMBL9040486

SCHEMBL9040486

O=C(O)c1cn(C2CC2)c2c(F)c(N3CCC4CNCC43)c(F)cc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.55
TOP2B Q02880 7/20 0.55
KCNH2 Q12809 5/20 0.52
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
POLB P06746 2/20 0.51
OPRM1 P35372 2/20 0.51
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
OPRD1 P41143 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 2/20 0.48

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
Hydrochloric Acid SCHEMBL9344800 0.99 TOP2A (0.55) TOP2ATOP2BKCNH2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9041557 0.87 ALDH1A1 (0.42) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL28394940 0.85 KDM4E (0.61) KCNH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9040954 0.85 TOP2A (0.55) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL6217878 0.84 ALDH1A1 (0.53) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL9177373 0.82 TOP2A (0.52) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL9734112 0.81 TOP2A (0.59) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL9779879 0.80 TOP2A (0.55) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL9671100 0.80 TOP2A (0.59) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL8616936 0.80 ALDH1A1 (0.66) TOP2ATOP2BKCNH2ALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481274-B1 7-(2,7-Diazabicyclo[3.3.0]octyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1996-10-23 EP claimed
US-5202337-A Antibacterial agent, feed additive BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 US claimed
EP-0481274-A1 7-(2,7-Diazabicyclo[3.3.0]octyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1992-04-22 EP claimed