SCHEMBL4778334

SCHEMBL4778334

CCc1cc(=O)c2cc(F)c(F)c(OC)c2n1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.41
TOP2B Q02880 2/20 0.41
KCNH2 Q12809 2/20 0.32
GSK3B P49841 1/20 0.32
TNF P01375 1/20 0.31
LITAF Q99732 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL9262116 0.87 TOP2A (0.39) TOP2ATOP2BTNFLITAF
SCHEMBL28398003 0.81 MGAM (0.41) GSK3B
SCHEMBL4305779 0.80 TOP2A (0.42) TOP2ATOP2BKCNH2GSK3B
SCHEMBL30572775 0.79 KDM4E (0.57) KCNH2
SCHEMBL9428229 0.77 TOP2A (0.40) TOP2ATOP2BKCNH2GSK3B
SCHEMBL30564284 0.76 KDM4E (0.49) KCNH2
SCHEMBL3337171 0.75 KCNH2 (0.41) KCNH2GSK3B
SCHEMBL4515223 0.75 ALDH1A1 (0.38) TOP2ATOP2BKCNH2
SCHEMBL4518378 0.74 TNF (0.35) TOP2ATOP2BTNFLITAF
SCHEMBL28404470 0.74 ADRB2 (0.39) TOP2ATOP2BTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992626-A1 Process for the preparation of moxifloxacin hydrochloride Sandoz AG (CH) 2008-11-19 EP disclosed