SCHEMBL28060770

SCHEMBL28060770

CCOc1cc2c(cc1Br)c1cc(Br)c(OCC)cc1c1cc(OCC)c(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TSHR P16473 4/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 4/20 0.43
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL10967724 0.87 LMNA (0.57) LMNATSHRHSD17B10HPGDMAPT
SCHEMBL2614744 0.82 TSHR (0.48) LMNATSHRHSD17B10HPGDMAPT
SCHEMBL9011621 0.79 THRA (0.43) HPGDMAPTL3MBTL1TDP1ALDH1A1
SCHEMBL16431851 0.77 HSD17B10 (0.48) LMNATSHRHSD17B10HPGDMAPT
SCHEMBL19777817 0.77 LMNA (0.48) LMNATSHRHSD17B10HPGDMAPT
SCHEMBL12187513 0.77 LMNA (0.63) LMNATSHRHSD17B10HPGDMAPT
SCHEMBL12485109 0.77 THRA (0.46) LMNAMAPTHTR2BMEN1KMT2A
SCHEMBL9011573 0.77 THRA (0.43) HPGDMAPTL3MBTL1TDP1ALDH1A1
SCHEMBL12483379 0.77 THRA (0.46) LMNAMAPTHTR2BMEN1KMT2A
SCHEMBL23326296 0.76 LMNA (0.52) LMNATSHRHSD17B10HPGDMAPT

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
CN-105503897-A Asymmetric benzophenanthrene tri-furan/thiophene, derivate thereof and preparation method UNIV EAST CHINA NORMAL 2016-04-20 CN disclosed