SCHEMBL7804307

SCHEMBL7804307

O=C(O)c1c(F)c(OC(F)F)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL7804020 0.86 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL9566708 0.86 SMN1; SMN2 (0.34) SMN1; SMN2PKM
SCHEMBL7813730 0.85
SCHEMBL9566683 0.83
SCHEMBL1202914 0.81 SMN1; SMN2 (0.47) SMN1; SMN2PKM
SCHEMBL9566672 0.81
SCHEMBL9566706 0.77
SCHEMBL31181846 0.77 MEN1 (0.34) SMN1; SMN2
SCHEMBL8872949 0.77 TDP1 (0.35) SMN1; SMN2PKM
SCHEMBL9566641 0.77 SMN1; SMN2 (0.34) SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11286470-A None JP disclosed
EP-0610958-B1 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives UBE INDUSTRIES (JP) 2001-10-04 EP disclosed
JP-H11286470-A PRODUCTION INTERMEDIATE FOR OXOQUINOLINECARBOXYLIC ACID DERIVATIVE SANKYO CO LTD 1999-10-19 JP disclosed
US-5496951-A 1-CYCLOPROPYL-6-FLUORO-8-FLUORINATED METHOXY COMPOUNDS INCLUDING BORON DIFLUORIDE CHELATE; CHEMICAL INTERMEDIATES AND ANTIBACTERIAL AGENTS SANKYO COMPANY, LIMITED (JP) 1996-03-05 US disclosed
US-5436367-A 3, 4-difluorobenzoic acid derivatives SANKO COMPANY, LIMITED (JP) 1995-07-25 US disclosed
EP-0352123-B1 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use UBE INDUSTRIES (JP) 1995-01-18 EP disclosed
US-5348961-A Antibacterial agents SANKYO COMPANY LIMITED (JP) 1994-09-20 US disclosed
EP-0610958-A2 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives UBE INDUSTRIES, LTD. (JP) 1994-08-17 EP disclosed
US-5073556-A Bactericides SANKYO COMPANY LIMITED (JP) 1991-12-17 US disclosed
EP-0352123-A2 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use UBE INDUSTRIES LIMITED (JP) 1990-01-24 EP disclosed