SCHEMBL28944702

SCHEMBL28944702

COCCCOc1cc(OCc2ccccc2)cc(C(C)Br)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RRM1 P23921 1/20 0.48
MAOB P27338 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BCHE P06276 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL31185919 0.89 RRM1 (0.53) RRM1MAOBMEN1KMT2ALMNA
SCHEMBL2809203 0.82 MAOB (0.50) MAOBMEN1KMT2AKDM4ENPC1
SCHEMBL13433972 0.81 MAOB (0.53) MAOBMEN1KMT2AKDM4ENPC1
SCHEMBL13131323 0.80 MAOB (0.51) MAOBMEN1KMT2AKDM4ENPC1
SCHEMBL10922781 0.80 MAOB (0.54) MAOBMEN1KMT2AKDM4ENPC1
SCHEMBL28944701 0.80 MAOB (0.48) MAOBMEN1KMT2AKDM4ENPC1
SCHEMBL2805804 0.79 MEN1 (0.52) RRM1MAOBMEN1KMT2AKDM4E
SCHEMBL27733470 0.77 MAOB (0.58) MAOBMEN1KMT2ASMN1; SMN2BCHE
SCHEMBL3488958 0.77 MEN1 (0.75) MAOBMEN1KMT2AKDM4ENPC1
SCHEMBL11601970 0.76 LMNA (0.69) 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