SCHEMBL2585757

SCHEMBL2585757

OC1=Cc2cc(Br)ccc2Oc2ccc(Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.45
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
ALOX5 P09917 1/20 0.34
P2RY6 Q15077 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
APP P05067 1/20 0.33
ALOX15 P16050 2/20 0.32
STK17B O94768 1/20 0.32
AR P10275 1/20 0.32
CYP19A1 P11511 1/20 0.32
PBRM1 Q86U86 1/20 0.32
S100A4 P26447 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 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
SCHEMBL2577849 0.89 AHR (0.39) AHRCA12CA2CA9ALOX5
SCHEMBL2588284 0.88 AHR (0.50) AHRSIRT1ARCYP19A1MEN1
SCHEMBL2584754 0.85 CA12 (0.40) AHRCA12CA2CA9APP
SCHEMBL2592475 0.78 MKNK1 (0.36) AHRMCL1APPKMT2ALMNA
SCHEMBL2590291 0.72 MAOB (0.35) APPALOX15MEN1POLBRAB9A
SCHEMBL16800942 0.69 AHR (0.61) AHRSIRT1APPARCYP19A1
SCHEMBL1842504 0.68 DRD2 (0.56) AHRARCYP19A1MEN1RAB9A
SCHEMBL482685 0.67 AHR (0.60) AHRCA12CA2CA9P2RY6
SCHEMBL16455012 0.67 AHR (0.65) AHRSIRT1APPCYP19A1S100A4
SCHEMBL10448868 0.67 AHR (0.74) AHRAPPALOX15MEN1POLB

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-2011130741-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed