SCHEMBL9876052

SCHEMBL9876052

CCOC(=O)Nc1c(F)c(N2CCNC(C)C2)c(F)c2c1c(=O)c(C(=O)OCC)cn2C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KCNH2 Q12809 3/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
POLB P06746 2/20 0.48
PRKD3 O94806 1/20 0.48
ALOX15 P16050 1/20 0.48
OPRM1 P35372 1/20 0.48
CLK2 P49760 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
CACNA1F O60840 1/20 0.47
MAPK1 P28482 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47

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
SCHEMBL9875651 0.87 KCNH2 (0.62) MEN1KMT2AKCNH2KDM4EALDH1A1
SCHEMBL9875434 0.84 ADRB2 (0.51) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL6784057 0.81 KCNH2 (0.66) MEN1KMT2AKCNH2KDM4EALDH1A1
SCHEMBL10777266 0.81 MEN1 (0.55) MEN1KMT2AKCNH2KDM4EALDH1A1
SCHEMBL10575672 0.80 ADRB2 (0.42) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9435467 0.78 MEN1 (0.79) MEN1KMT2AKCNH2KDM4EALDH1A1
SCHEMBL8556219 0.77 MEN1 (0.66) MEN1KMT2AKCNH2KDM4EALDH1A1
SCHEMBL8558517 0.77 KCNH2 (0.70) MEN1KMT2AKCNH2KDM4EALDH1A1
SCHEMBL7577816 0.77 ADRB2 (0.51) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL1345146 0.76 STAT3 (0.65) MEN1KMT2AKCNH2KDM4EALDH1A1

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 3 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-4795751-A 5-substituted-6,8-difluoroquinolines useful as antibacterial agents DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-01-03 US disclosed
EP-0221463-A2 Quinoline derivatives and processes for preparation thereof Dainippon Pharmaceutical Co., Ltd. (JP) 1987-05-13 EP disclosed