SCHEMBL10550876

SCHEMBL10550876

O=C(O)c1cn(C2CC2)c2c(F)c(F)c(F)c(NCc3ccccc3)c2c1=O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.63
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TOP2A P11388 1/20 0.46
TOP2B Q02880 1/20 0.46

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
SCHEMBL1345135 0.88 GSK3B (0.50) GSK3B
SCHEMBL10546585 0.86 GSK3B (0.55) GSK3BMEN1KMT2A
SCHEMBL9757352 0.84 GSK3B (0.58) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL9501093 0.84 GSK3B (0.54) GSK3BTOP2ATOP2B
SCHEMBL10576254 0.83 GSK3B (0.54) GSK3BMEN1KMT2A
SCHEMBL10576261 0.83 GSK3B (0.54) GSK3BMEN1KMT2A
SCHEMBL10576245 0.83 GSK3B (0.54) GSK3BMEN1KMT2A
SCHEMBL9688639 0.81 GSK3B (0.60) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL5704357 0.80 GSK3B (0.48) GSK3B
SCHEMBL9268466 0.80 STAT3 (0.43) GSK3BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4886810-A ANTIBACTERIAL DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
US-4795751-A 5-substituted-6,8-difluoroquinolines useful as antibacterial agents DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-01-03 US disclosed