SCHEMBL6417599

SCHEMBL6417599

BrC1c2ccccc2O[C@H]1Br

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ATM Q13315 1/20 0.32
ABCB1 P08183 2/20 0.32
GUSB P08236 3/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL3370745 1.00 MAOA (0.38) MAOAMAOBATMABCB1GUSB
SCHEMBL3370754 1.00 MAOA (0.38) MAOAMAOBATMABCB1GUSB
SCHEMBL3370749 1.00 MAOA (0.38) MAOAMAOBATMABCB1GUSB
SCHEMBL23894634 0.77 MAOA (0.35) MAOAMAOBATMABCB1
SCHEMBL3260378 0.77 MAOA (0.35) MAOAMAOBATM
SCHEMBL25056919 0.77 ABCB1 (0.44) MAOAMAOBATMABCB1GUSB
SCHEMBL312107 0.76 ABCG2 (0.36) MAOAMAOB
SCHEMBL19885491 0.75 MAOA (0.58) MAOAMAOBATMHDAC3HDAC4
SCHEMBL11409097 0.74 ABCB1 (0.35) MAOAMAOBABCB1
SCHEMBL13551756 0.73 ABCB1 (0.41) MAOAMAOBABCB1

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
EP-1499618-A1 FURYL COMPOUNDS AstraZeneca AB (SE) 2005-01-26 EP disclosed
WO-2003087102-A1 FURYL COMPOUNDS ASTRAZENECA AB (SE) 2003-10-23 WO disclosed