SCHEMBL8596027

SCHEMBL8596027

COc1cccc(OC)c1C(=O)Nc1cccc2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.54
MEN1 O00255 6/20 0.54
GAA P10253 3/20 0.52
RXFP1 Q9HBX9 2/20 0.51
TRPV1 Q8NER1 1/20 0.51
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
MAOB P27338 1/20 0.48
ADORA2A P29274 1/20 0.48
PARP1 P09874 1/20 0.48
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MLYCD O95822 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43

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
SCHEMBL8599475 0.82 TRPV1 (0.65) KMT2AMEN1GAATRPV1KDM4E
SCHEMBL2841363 0.79 MEN1 (0.58) KMT2AMEN1GAAKDM4EHPGD
SCHEMBL8598148 0.76 KDM4E (0.54) KMT2AMEN1GAARXFP1KDM4E
SCHEMBL22340613 0.74 RXFP1 (0.60) KMT2AGAARXFP1KDM4EHPGD
SCHEMBL8601684 0.70 RXFP1 (0.44) KMT2AMEN1GAARXFP1KDM4E
SCHEMBL30341889 0.68 DRD4 (0.57) KMT2AMEN1GAAKDM4EHPGD
SCHEMBL21311190 0.68 KMT2A (0.60) KMT2AMEN1GAAKDM4EHPGD
SCHEMBL9674862 0.68 MEN1 (0.58) KMT2AMEN1GAAKDM4EHPGD
SCHEMBL3971891 0.68 MEN1 (0.58) KMT2AMEN1GAATRPV1KDM4E
SCHEMBL2369650 0.68 KDM4E (0.65) KMT2AMEN1GAATRPV1KDM4E

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