SCHEMBL16049999

SCHEMBL16049999

OB(O)c1ccc(Br)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.48
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 3/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HSP90AA1 P07900 1/20 0.41
TLR9 Q9NR96 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.36
ERN1 O75460 1/20 0.35

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
SCHEMBL29650713 1.00 ALOX15 (0.48) ALOX15MAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL8715929 0.82 TSHR (0.46) ALOX15MAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL29755107 0.80 CA1 (0.44) ALOX15MAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL7351244 0.80 CA1 (0.44) ALOX15MAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL9848214 0.78 CA1 (0.42) ALOX15MAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL28522838 0.78 ALOX15 (0.46) ALOX15MAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL384996 0.76 DGAT1 (0.44) ALOX15ALDH1A1TSHRCA1CA2
SCHEMBL31538894 0.76 CA1 (0.46) ALOX15MAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL16294401 0.76 ENPP2 (0.41) MAPK1TDP1ALDH1A1TSHRMEN1
SCHEMBL19475366 0.76 CA1 (0.41) ALOX15MAPK1TDP1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112552275-B Spiro compound and application thereof 上海钥熠电子科技有限公司 2022-11-01 CN disclosed
CN-115160212-A Organic luminescent material and preparation method and application thereof 吉林奥来德光电材料股份有限公司 2022-10-11 CN disclosed
CN-114702395-A Triarylamine compound and organic electroluminescent device comprising the same 上海钥熠电子科技有限公司 2022-07-05 CN disclosed
CN-112552275-A Spiro compound and application thereof 上海钥熠电子科技有限公司 2021-03-26 CN disclosed
WO-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 WO disclosed