SCHEMBL9875434

SCHEMBL9875434

CCOC(=O)Nc1c(F)c(F)c(F)c2c1c(=O)c(C(=O)OCC)cn2C1CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.51
STAT3 P40763 1/20 0.50
HTT P42858 1/20 0.45
GSK3B P49841 10/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
TOP2A P11388 2/20 0.41
TOP2B Q02880 2/20 0.41
CACNA1F O60840 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
CACNA1D Q01668 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40

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
SCHEMBL7577816 0.92 ADRB2 (0.51) ADRB2STAT3HTTGSK3BMEN1
SCHEMBL1345146 0.87 STAT3 (0.65) ADRB2STAT3HTTGSK3BMEN1
SCHEMBL8111555 0.85 STAT3 (0.56) ADRB2STAT3HTTGSK3BMEN1
SCHEMBL7111565 0.85 ADRB2 (0.50) ADRB2STAT3HTTGSK3BMEN1
SCHEMBL9876052 0.84 MEN1 (0.49) ADRB2STAT3HTTGSK3BMEN1
SCHEMBL10594730 0.84 STAT3 (0.55) ADRB2STAT3HTTGSK3BMEN1
SCHEMBL8129186 0.84 STAT3 (0.58) ADRB2STAT3HTTGSK3BMEN1
SCHEMBL7578035 0.83 ADRB2 (0.51) ADRB2STAT3HTTGSK3BMEN1
SCHEMBL8851823 0.83 STAT3 (0.54) ADRB2STAT3HTTGSK3BMEN1
SCHEMBL8111795 0.83 STAT3 (0.54) ADRB2STAT3HTTGSK3BMEN1

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
EP-0221463-B1 QUINOLINE DERIVATIVES AND PROCESSES FOR PREPARATION THEREOF Dainippon Pharmaceutical Co., Ltd. (JP) 1991-08-14 EP disclosed
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
EP-0242789-A2 Novel quinoline derivates and processes for preparation thereof Dainippon Pharmaceutical Co., Ltd. (JP) 1987-10-28 EP disclosed
EP-0221463-A2 Quinoline derivatives and processes for preparation thereof Dainippon Pharmaceutical Co., Ltd. (JP) 1987-05-13 EP disclosed