SCHEMBL11367331

SCHEMBL11367331

COc1ccc(OC)c(OCC(O)CN2CCN(C(N)=O)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ABCB1 P08183 8/20 0.54
MAPT P10636 5/20 0.53
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL11371054 0.92 MAPT (0.54) MEN1KMT2AMAPTTP53POLB
SCHEMBL11378275 0.90 NPSR1 (0.60) MEN1KMT2AABCB1MAPTTP53
SCHEMBL11370596 0.87 KDM4E (0.67) MEN1KMT2AABCB1MAPTPOLB
SCHEMBL11369447 0.86 MAPT (0.50) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL11364906 0.86 CYP3A4 (0.62) MEN1KMT2AABCB1MAPTTP53
SCHEMBL11372226 0.85 TP53 (0.71) MEN1KMT2AABCB1MAPTTP53
SCHEMBL4863792 0.82 POLB (0.55) MEN1KMT2AABCB1MAPTTP53
SCHEMBL11371377 0.82 MAPT (0.56) MEN1KMT2AABCB1MAPTTP53
SCHEMBL11377484 0.80 USP2 (0.77) MEN1KMT2AABCB1MAPTPOLB
SCHEMBL4859389 0.79 CYP3A4 (0.52) MEN1KMT2AABCB1SMN1; SMN2KDM4E

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-4269838-A ADRENERGIC BLOCKING AGENTS; ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS NIPPON SHINYAKU CO. LTD. (JP) 1981-05-26 US claimed