SCHEMBL6205536

SCHEMBL6205536

[CH2]c1cc(Nc2ccccc2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.56
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
POLB P06746 1/20 0.50
RAD52 P43351 1/20 0.50
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
GAK O14976 1/20 0.43
RIPK2 O43353 1/20 0.43
COQ8A Q8NI60 1/20 0.43
NLK Q9UBE8 1/20 0.43
FLT3 P36888 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
SCHEMBL5841124 0.88 BRAF (0.69) BRAFMEN1KMT2APOLBRAD52
SCHEMBL8597483 0.73 MEN1 (0.62) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL16621434 0.73 GAA (0.51) BRAFMEN1KMT2APOLBRAD52
SCHEMBL3535051 0.72 BRAF (1.00) BRAF
SCHEMBL12653297 0.72 MEN1 (0.53) BRAFMEN1KMT2AMAPTMAPK1
SCHEMBL17948239 0.72 MEN1 (0.71) BRAFMEN1KMT2APOLBMAPT
SCHEMBL8834058 0.71 AKR1C3 (0.56) BRAFMEN1KMT2APOLBRAD52
SCHEMBL14269725 0.70 HPGD (0.50) BRAFMEN1KMT2AMAPTMAPK1
SCHEMBL8723586 0.70 BRAF (0.49) BRAFMEN1KMT2APOLBRAD52
SCHEMBL3631829 0.70 BRAF (0.70) BRAFMEN1KMT2APOLBRAD52

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-1539708-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-06-15 EP disclosed
WO-2004024699-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed