SCHEMBL6069371

SCHEMBL6069371

CC1(c2cc(OCc3ccccc3)ccc2Br)OCCS1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.43
MAOA P21397 9/20 0.43
HRH3 Q9Y5N1 1/20 0.41
PDK2 Q15119 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
GRM5 P41594 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALK Q9UM73 1/20 0.40
ALOX5 P09917 1/20 0.40
HTR2B P41595 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL5819884 0.82 MAOB (0.48) MAOBMAOAHRH3PDK2NPC1
SCHEMBL6070482 0.73 TUBB1 (0.42) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL3823883 0.69 MAOB (0.62) MAOBMAOARAB9ASMN1; SMN2ALOX5
SCHEMBL5801964 0.68 MAOB (0.69) MAOBMAOA
SCHEMBL749857 0.68 MEN1 (0.59) MAOBMAOAHRH3NPC1RAB9A
SCHEMBL6069668 0.68 HRH3 (0.46) MAOBMAOAHRH3PDK2ALOX5
SCHEMBL6069671 0.67 MAOB (0.45) MAOBMAOAHRH3PDK2NPC1
SCHEMBL31069846 0.66 LMNA (0.67) MAOBMAOARAB9ASMN1; SMN2ALOX5
SCHEMBL30628889 0.66 MAOB (0.59) MAOBMAOARAB9ASMN1; SMN2ALOX5
SCHEMBL281986 0.66 LMNA (0.67) MAOBMAOARAB9ASMN1; SMN2ALOX5

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
WO-2006067416-A1 CHEMICAL PROCESSES AND INTERMEDIATES ASTRAZENECA AB (SE) 2006-06-29 WO disclosed