SCHEMBL730593

SCHEMBL730593

O=C(CCc1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.57
HDAC1 Q13547 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
POLB P06746 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PDPK1 O15530 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HSD11B1 P28845 1/20 0.49
HSP90AA1 P07900 1/20 0.49

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
SCHEMBL20262696 0.91 NPC1 (0.56) GSK3BHDAC1HDAC8NPC1RAB9A
SCHEMBL846895 0.90 NPC1 (0.65) GSK3BHDAC8HDAC3HDAC2HDAC6
SCHEMBL658810 0.90 PDPK1 (0.64) GSK3BHDAC1POLBNPC1RAB9A
SCHEMBL28668863 0.88 RAB9A (0.71) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL241664 0.84 GSK3B (0.70) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL8735373 0.81 NPC1 (0.65) POLBNPC1RAB9AL3MBTL1THRB
SCHEMBL3799020 0.81 NPC1 (0.53) POLBNPC1RAB9AL3MBTL1THRA
SCHEMBL4484073 0.80 FFAR1 (0.53) POLBCTDSP1PDPK1FFAR1FFAR4
SCHEMBL133319 0.80 HDAC1 (0.75) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL10766281 0.80 TDP1 (0.77) HDAC1HDAC8HDAC3HDAC4HDAC7

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
US-8137822-B2 Synthesis of phenyl-substituted polyfluoroanthenes and the use thereof BASF AKTIENGESELLSCHAFT (DE) 2012-03-20 US disclosed
US-20080213623-A1 7,10-bis(acryloyl, styryl, or glycidyl-substituted phenyl)fluoranthene polymerized in the presence of a nickel or palladium catalyst; photopolymerized after applied to film substrate for organic light-emitting diodes; improved stability, high efficiency and quantum yield, emission maximum in blue region BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed