SCHEMBL9775952

SCHEMBL9775952

CCOC(=O)CC(=O)c1cc2cc(F)c(Cl)cc2nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.40
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA2 P00918 1/20 0.36
ATM Q13315 1/20 0.35
MAPT P10636 2/20 0.35
GLP1R P43220 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MGLL Q99685 1/20 0.35
HPGD P15428 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
ACACB O00763 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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 0.93 MIF (0.41) MIFTSHRALDH1A1KDM4EMEN1
SCHEMBL29980061 0.82 KEAP1 (0.51) MIFTSHRALDH1A1KDM4EMEN1
SCHEMBL1389163 0.82 KEAP1 (0.51) MIFTSHRALDH1A1KDM4EMEN1
SCHEMBL9786138 0.82 KEAP1 (0.41) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL13004014 0.81 MIF (0.41) MIFTSHRALDH1A1KDM4EMEN1
SCHEMBL9775889 0.81 MIF (0.40) MIFTSHRALDH1A1KDM4EMEN1
SCHEMBL4714980 0.79 TDP1 (0.42) MIFTSHRALDH1A1KDM4EMEN1
SCHEMBL19971534 0.79 MIF (0.43) MIFTSHRALDH1A1KDM4EMEN1
SCHEMBL30680417 0.79 ALDH1A1 (0.42) MIFTSHRALDH1A1KDM4EMEN1
SCHEMBL30297970 0.79 MIF (0.43) MIFTSHRALDH1A1KDM4EMEN1

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