SCHEMBL28944701

SCHEMBL28944701

COCCCOc1cc(CCBr)cc(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
BCHE P06276 7/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ABCB1 P08183 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL2809203 0.89 MAOB (0.50) MAOBMEN1KMT2AKDM4ENPC1
SCHEMBL10922781 0.87 MAOB (0.54) MAOBMEN1KMT2AKDM4ENPC1
SCHEMBL18179856 0.87 MEN1 (0.54) MAOBMEN1KMT2ALMNABCHE
SCHEMBL13131323 0.84 MAOB (0.51) MAOBMEN1KMT2AKDM4ENPC1
SCHEMBL29153609 0.84 MAOB (0.57) MAOBMEN1KMT2ALMNABCHE
SCHEMBL2805804 0.83 MEN1 (0.52) MAOBMEN1KMT2AKDM4ENPC1
SCHEMBL13433972 0.82 MAOB (0.53) MAOBMEN1KMT2AKDM4ENPC1
SCHEMBL27774893 0.81 MEN1 (0.43) MAOBMEN1KMT2AKDM4ENPC1
SCHEMBL28944702 0.80 RRM1 (0.48) MAOBMEN1KMT2AKDM4ENPC1
SCHEMBL27795822 0.79 KDM4E (0.51) MAOBMEN1KMT2AKDM4ENPC1

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
CN-101679324-B Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2012-10-03 CN disclosed
CN-101679324-A Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2010-03-24 CN disclosed