SCHEMBL9733155

SCHEMBL9733155

CCNC1CCC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2N)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.49
TOP2A P11388 6/20 0.47
TOP2B Q02880 6/20 0.47
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
OPRM1 P35372 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
OPRD1 P41143 1/20 0.45
GSK3B P49841 3/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PRKD3 O94806 1/20 0.44
ALOX15 P16050 1/20 0.44
CLK2 P49760 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9731630 0.95 KCNH2 (0.48) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9732573 0.85 PIM1 (0.54) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9732961 0.84 ALDH1A1 (0.55) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9732003 0.82 TOP2A (0.49) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9732051 0.81 KDM4E (0.55) KCNH2TOP2ATOP2BALDH1A1KDM4E
SCHEMBL9733472 0.81 PIM1 (0.53) KCNH2TOP2AALDH1A1POLBKDM4E
SCHEMBL9731714 0.80 ALDH1A1 (0.53) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9731616 0.80 TOP2A (0.53) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9731431 0.80 TOP2A (0.48) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9731260 0.79 TOP2A (0.55) KCNH2TOP2ATOP2BALDH1A1POLB

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
US-5081254-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1992-01-14 US disclosed
US-4929613-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1990-05-29 US disclosed
EP-0306764-A2 4-Quinolone-3-carboxylic-acid derivatives and their use as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-03-15 EP disclosed