SCHEMBL1659842

SCHEMBL1659842

Cc1cc(C(C)(C)C)cc(C)c1N(c1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1)c1c(C)cc(C(C)(C)C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HDAC8 Q9BY41 2/20 0.33
HTR1D P28221 2/20 0.32
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
S100B P04271 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4399858 0.95 RXRB (0.34) POLBALDH1A1HDAC8HTR1DSMN1; SMN2
SCHEMBL46864 0.94 POLB (0.38) POLBALDH1A1HDAC8HTR1DTSHR
SCHEMBL3057784 0.94 POLB (0.38) POLBALDH1A1HDAC8HTR1DTSHR
SCHEMBL15854825 0.89 RXRB (0.35) POLBALDH1A1HDAC8HTR1DSMN1; SMN2
SCHEMBL13174556 0.89 ALDH1A1 (0.45) POLBALDH1A1HDAC8HTR1DTSHR
SCHEMBL1087423 0.89 RXRB (0.35) POLBALDH1A1HDAC8HTR1DSMN1; SMN2
SCHEMBL15854822 0.89 RXRB (0.35) POLBALDH1A1HDAC8HTR1DSMN1; SMN2
SCHEMBL12440938 0.89 ALDH1A1 (0.45) POLBALDH1A1HDAC8HTR1DTSHR
SCHEMBL1116041 0.89 RAPGEF4 (0.40) POLBALDH1A1HDAC8HTR1DTSHR
SCHEMBL15304825 0.89 RAPGEF4 (0.40) POLBALDH1A1HDAC8HTR1DTSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305772-B1 COMPOSITION CONTAINING A METAL COMPLEX AND ORGANIC COMPOUND, AND LIGHT EMITTING ELEMENT USING SAID COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-05-20 EP disclosed
US-8263735-B2 Polymer compound and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-11 US disclosed
EP-2305772-A1 COMPOSITION CONTAINING A METAL COMPLEX AND ORGANIC COMPOUND, AND LIGHT EMITTING ELEMENT USING SAID COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-04-06 EP disclosed
US-20100133997-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed