SCHEMBL9775889

SCHEMBL9775889

CCOC(=O)CC(=O)c1cc2cc(F)c(F)c(F)c2nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.40
TSHR P16473 1/20 0.38
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MGLL Q99685 1/20 0.33
CASP1 P29466 2/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL9775891 0.82 MIF (0.41) MIFTSHRKDM4EALDH1A1MEN1
SCHEMBL29980061 0.82 KEAP1 (0.51) MIFTSHRKDM4EALDH1A1MEN1
SCHEMBL1389163 0.82 KEAP1 (0.51) MIFTSHRKDM4EALDH1A1MEN1
SCHEMBL13004014 0.81 MIF (0.41) MIFTSHRKDM4EALDH1A1MEN1
SCHEMBL9775952 0.81 MIF (0.40) MIFTSHRKDM4EALDH1A1MEN1
SCHEMBL12413938 0.77 MIF (0.38) MIFTSHRKDM4EALDH1A1MEN1
SCHEMBL30297970 0.76 MIF (0.43) MIFTSHRKDM4EALDH1A1MEN1
SCHEMBL19971534 0.76 MIF (0.43) MIFTSHRKDM4EALDH1A1MEN1
SCHEMBL1185918 0.76 ALDH1A1 (0.44) MIFTSHRKDM4EALDH1A1MEN1
SCHEMBL30958584 0.76 ALDH1A1 (0.44) MIFTSHRKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5053509-A Microbiocides; AIDS LABORATOIRE ROGER BELLON (FR) 1991-10-01 US disclosed
US-5004745-A Benzo[1,8]naphthyridine derivatives, their preparation and the compositions which contain them LABORATOIRE ROGER BELLON (FR) 1991-04-02 US disclosed
US-4990515-A Chemical intermediates RHONE-POULENC SANTE (FR) 1991-02-05 US disclosed
US-4970213-A Benzo(1,8)naphthyridine derivatives as intermediates RHONE-POULENC SANTE (FR) 1990-11-13 US disclosed