SCHEMBL8938831

SCHEMBL8938831

COC(=O)C(C)Oc1ccc(Nc2cc(Oc3c(F)cc(C(F)(F)F)cc3Cl)ccc2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.35
CLPP Q16740 1/20 0.35
TLR8 Q9NR97 7/20 0.35
TLR7 Q9NYK1 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
BRAF P15056 2/20 0.33
HDAC3 O15379 1/20 0.33
RAF1 P04049 1/20 0.33
ARAF P10398 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL8938801 0.86 MEN1 (0.40) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL9572382 0.82 MAPK1 (0.42) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL9332364 0.77 HTR2A (0.36) L3MBTL1TLR8TLR7BRAFHDAC3
SCHEMBL9138033 0.77 MEN1 (0.46) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL27337708 0.76 HTR2A (0.34) L3MBTL1TLR8TLR7SMN1; SMN2RHOC
SCHEMBL11257695 0.76 KMT2A (0.46) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL10443547 0.76 THRB (0.34) TLR8TLR7RHOCRHOA
SCHEMBL9572365 0.76 MAPK1 (0.45) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL9194374 0.75 TDP1 (0.46) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL9194369 0.75 TDP1 (0.46) MEN1KMT2AMAPTL3MBTL1MAPK1

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
US-5484762-A Aryloxy-n-(substituted phenyl) benzotriazole herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-01-16 US disclosed