SCHEMBL9499289

SCHEMBL9499289

O=C(O)Oc1cc(=O)c2c(C(F)(F)F)cccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCL1 Q07820 4/20 0.36
KIF11 P52732 1/20 0.34
FFAR1 O14842 1/20 0.33
AR P10275 2/20 0.33
PARP1 P09874 1/20 0.33
MAOB P27338 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
SCHEMBL28783998 0.88 KDM4E (0.36) KDM4EHPGDMEN1ALDH1A1LMNA
SCHEMBL9500387 0.82 FEN1 (0.43) ARPARP1
SCHEMBL9499661 0.80 IMPDH2 (0.40) KDM4EHPGDMEN1ALDH1A1POLB
SCHEMBL9452204 0.79 HPGD (0.53) KDM4EHPGDMEN1ALDH1A1KMT2A
SCHEMBL9501069 0.77 DAO (0.40) MEN1POLBKMT2A
SCHEMBL9500238 0.76 PARP1 (0.31) KDM4EHPGDMEN1ALDH1A1LMNA
SCHEMBL9500319 0.76 CDK1 (0.37) KMT2APARP1
SCHEMBL9501326 0.76 MAP2K1 (0.35) KDM4EHPGDALDH1A1MCL1PARP1
SCHEMBL429658 0.75 GLA (0.46) KDM4EMCL1
SCHEMBL19032114 0.74 MAPT (0.49) KDM4EHPGDMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303387-B1 KYNURENIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS MERCK SHARP & DOHME LTD. (GB) 1993-04-21 EP claimed