SCHEMBL9501343

SCHEMBL9501343

O=C(O)Oc1cc(=O)c2cc(C(F)(F)F)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KIF11 P52732 6/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAPK1 P28482 1/20 0.40
MAP2K4 P45985 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
MAPK6 Q16659 1/20 0.40
MPL P40238 1/20 0.40
CHUK O15111 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9452232 0.78 KDM4E (0.63) KDM4EMEN1KMT2AKIF11MAPT
SCHEMBL27760770 0.77 MAPT (0.59) KDM4EMEN1KMT2AKIF11MAPT
SCHEMBL10809192 0.76 KDM4E (0.58) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL9500206 0.75 ALDH1A1 (0.49) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL9452207 0.74 KDM4E (0.57) KDM4EMEN1KMT2AKIF11MAPT
SCHEMBL9229419 0.73 KMT2A (0.40) KDM4EMEN1KMT2AKIF11MAPT
SCHEMBL19032013 0.73 MAPT (0.77) KDM4EMEN1KMT2AKIF11MAPT
SCHEMBL9499289 0.71 KDM4E (0.37) KDM4EMEN1KMT2AKIF11ALDH1A1
SCHEMBL6824313 0.71 MEN1 (0.56) KDM4EMEN1KMT2AKIF11ALDH1A1
SCHEMBL9178642 0.70 KDM4E (0.63) KDM4EMEN1KMT2AKIF11MAPT

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