SCHEMBL9837339

SCHEMBL9837339

Nc1ccc(CN2CC3CC2CN3c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.49
TOP2B Q02880 7/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 3/20 0.49
OPRM1 P35372 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRD1 P41143 1/20 0.49
KCNH2 Q12809 5/20 0.47
GSK3B P49841 2/20 0.46
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
PRKD3 O94806 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CLK2 P49760 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL9838814 0.90 TOP2A (0.42) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9838688 0.89 TOP2A (0.47) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9376194 0.81 TOP2A (0.56) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9837639 0.81 KDM4E (0.54) ALDH1A1POLBCHRM1KDM4ETDP1
Hydrochloric Acid SCHEMBL9837318 0.81 TOP2A (0.55) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9837575 0.78 DPP4 (0.55) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9669484 0.78 TOP2A (0.58) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9670379 0.76 KDM4E (0.54) TOP2ATOP2BALDH1A1KDM4EHPGD
SCHEMBL9837357 0.76 KDM4E (0.60) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9669412 0.76 ALDH1A1 (0.62) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0159174-B1 SUBSTITUTED NAPHTHYRIDINE-, QUINOLINE- AND BENZOXAZINE- CARBOXYLIC ACIDS AS ANTIBACTERIAL AGENTS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1991-10-23 EP claimed
US-4571396-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-02-18 US claimed
EP-0159174-A2 Substituted naphthyridine-, quinoline- and benzoxazine- carboxylic acids as antibacterial agents and processes for their production WARNER-LAMBERT COMPANY (US) 1985-10-23 EP claimed
EP-0159174-B1 SUBSTITUTED NAPHTHYRIDINE-, QUINOLINE- AND BENZOXAZINE- CARBOXYLIC ACIDS AS ANTIBACTERIAL AGENTS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1991-10-23 EP disclosed
US-4571396-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-02-18 US disclosed
EP-0159174-A2 Substituted naphthyridine-, quinoline- and benzoxazine- carboxylic acids as antibacterial agents and processes for their production WARNER-LAMBERT COMPANY (US) 1985-10-23 EP disclosed