SCHEMBL10677963

SCHEMBL10677963

O=C(O)c1cn(C2CCCC2)c2c(F)c(F)c(F)cc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.65
TOP2B Q02880 7/20 0.65
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.53
POLB P06746 3/20 0.53
OPRM1 P35372 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
OPRD1 P41143 1/20 0.53
HSP90AA1 P07900 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
KCNH2 Q12809 4/20 0.50
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 2/20 0.49
LMNA P02545 1/20 0.49
CYP2C9 P11712 1/20 0.49
PRKD3 O94806 1/20 0.48
ALOX15 P16050 1/20 0.48
CLK2 P49760 1/20 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
SCHEMBL10679531 0.99 TOP2A (0.64) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL10680678 0.97 TOP2A (0.65) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL29463823 0.95 TOP2A (0.71) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL500719 0.95 TOP2A (0.71) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL10510815 0.94 TOP2A (0.69) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL10511131 0.94 TOP2A (0.69) TOP2ATOP2BKDM4EALDH1A1POLB
Potassium SCHEMBL10510827 0.94 TOP2A (0.69) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL10511115 0.94 TOP2A (0.69) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL8136160 0.86 TOP2A (0.57) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL9266620 0.86 TOP2A (0.57) TOP2ATOP2BKDM4EALDH1A1POLB

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-4777175-A (NAPHTHYRIDINE, QUINOLINE) CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-10-11 US disclosed
US-4771054-A QUINOLINE CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-09-13 US disclosed
US-4665079-A QUINOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1987-05-12 US disclosed
US-4638067-A NAPHTHYRIDINE AND QUINOLINE CARBOXYLIC ACIDS WARNER-LAMBERT CO. (US) 1987-01-20 US disclosed
EP-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 EP disclosed