SCHEMBL8599112

SCHEMBL8599112

CCOC(=O)c1cccc2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
HPGD P15428 2/20 0.65
PARP1 P09874 10/20 0.64
MEN1 O00255 2/20 0.48
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PIM1 P11309 1/20 0.47
CLK2 P49760 1/20 0.47
MAP4K2 Q12851 1/20 0.47
CAMK2D Q13557 1/20 0.47
DYRK1A Q13627 1/20 0.47
PIM3 Q86V86 1/20 0.47

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
SCHEMBL19268312 0.88 PARP1 (0.53) KDM4EHPGDPARP1PRKD3MAP4K4
SCHEMBL6170661 0.82 PARP1 (0.64) KDM4EPARP1MEN1KMT2APOLB
SCHEMBL28790557 0.80 PARP1 (0.54) KDM4EPARP1MEN1KMT2APOLB
SCHEMBL7480886 0.80 PARP1 (0.54) KDM4EHPGDPARP1MEN1GAA
SCHEMBL11830014 0.80 PARP1 (0.57) KDM4EPARP1MEN1KMT2AMAPT
SCHEMBL2369650 0.80 KDM4E (0.65) KDM4EHPGDPARP1MEN1GAA
SCHEMBL8597971 0.79 KDM4E (1.00) KDM4EHPGDPARP1MEN1GAA
SCHEMBL2369095 0.78 PARP1 (1.00) KDM4EHPGDPARP1MEN1GAA
SCHEMBL7485575 0.78 CHEK1 (0.52) KDM4EPARP1MAPTALDH1A1HSD17B10
SCHEMBL7475443 0.78 PARP1 (0.55) KDM4EHPGDPARP1GAAMAPT

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