SCHEMBL3852074

SCHEMBL3852074

BrCc1ccc(C2(c3ccccc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 1/20 0.39
TSHR P16473 1/20 0.39
PDK2 Q15119 2/20 0.39
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 1/20 0.32
PTPRC P08575 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
GABRA1 P14867 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
SCHEMBL29540116 0.87 PDK2 (0.47) ALDH1A1PDK2OPRM1OPRD1MEN1
SCHEMBL1307887 0.87 PDK2 (0.47) ALDH1A1PDK2OPRM1OPRD1MEN1
SCHEMBL802764 0.82 PDK2 (0.51) ALDH1A1PDK2OPRM1OPRD1MEN1
SCHEMBL29469448 0.82 PDK2 (0.51) ALDH1A1PDK2OPRM1OPRD1MEN1
Diethylamine SCHEMBL990943 0.81 PDK2 (0.39) ALDH1A1PDK2OPRM1OPRD1MEN1
SCHEMBL22197216 0.81 PDK2 (0.44) ALDH1A1TSHRPDK2OPRM1OPRD1
SCHEMBL3852176 0.81 PDK2 (0.41) ALDH1A1PDK2OPRM1OPRD1MEN1
SCHEMBL24730435 0.80 MEN1 (0.43) PDK2OPRM1OPRD1MEN1KMT2A
SCHEMBL12635475 0.80 MAPK1 (0.48) ALDH1A1PDK2OPRM1OPRD1MEN1
SCHEMBL23097228 0.80 PDK2 (0.38) PDK2AKR1A1AKR1B1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579091-B2 White electroluminescent polymeric material and preparation thereof CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCE (CN) 2009-08-25 US disclosed
US-20070270570-A1 WHITE ELECTROLUMINESCENT POLYMERIC MATERIAL AND PREPARATION THEREOF CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINES ACADEMY OF SCIENCE (CN) 2007-11-22 US disclosed
US-20050214568-A1 White electroluminescent polymeric material & preparation thereof CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCE 2005-09-29 US disclosed