SCHEMBL8562789

SCHEMBL8562789

O=C(O)COCc1cccc2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
HPGD P15428 1/20 0.56
PARP1 P09874 2/20 0.52
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GNRHR P30968 3/20 0.46
DRD4 P21917 3/20 0.42
DRD3 P35462 3/20 0.42
DRD2 P14416 2/20 0.42
TRPV1 Q8NER1 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL21947205 0.77 MEN1 (0.58) KDM4EHPGDPARP1MEN1KMT2A
SCHEMBL3968508 0.77 MEN1 (0.58) KDM4EHPGDPARP1MEN1KMT2A
SCHEMBL8597971 0.73 KDM4E (1.00) KDM4EHPGDPARP1MEN1KMT2A
SCHEMBL2369095 0.69 PARP1 (1.00) KDM4EHPGDPARP1MEN1KMT2A
SCHEMBL8598047 0.69 GAA (0.63) KDM4EHPGDPARP1MEN1KMT2A
SCHEMBL8599112 0.68 KDM4E (0.65) KDM4EHPGDPARP1MEN1KMT2A
SCHEMBL8562794 0.68 KDM4E (0.56) KDM4EHPGDPARP1MEN1KMT2A
SCHEMBL11556832 0.67 ALOX15 (0.50) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL3968217 0.66 KDM4E (0.44) KDM4EHPGDPARP1MEN1KMT2A
SCHEMBL9674513 0.66 DRD4 (0.60) KDM4EHPGDPARP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed