SCHEMBL17020189

SCHEMBL17020189

CC(=O)c1cc(C)c(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BAZ2B Q9UIF8 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
TSPO P30536 1/20 0.36
HPGD P15428 1/20 0.36
ELANE P08246 3/20 0.36
PDGFRA P16234 1/20 0.35
CDK5 Q00535 1/20 0.35
TYRO3 Q06418 1/20 0.35
LMNA P02545 2/20 0.35
MCL1 Q07820 1/20 0.35
MYC P01106 1/20 0.35
NR4A1 P22736 1/20 0.35
DNM1 Q05193 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 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
SCHEMBL2951637 0.77 MAPT (0.41) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL17020175 0.77 ALDH1A1 (0.37) MAPTALDH1A1HTTTSPOLMNA
SCHEMBL15946330 0.74 TSPO (0.43) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL14717080 0.73 BAZ2B (0.56) MAPTBAZ2BALDH1A1HTTTSPO
SCHEMBL29865552 0.73 BAZ2B (0.56) MAPTBAZ2BALDH1A1HTTTSPO
SCHEMBL17449603 0.70 MAPT (0.40) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL27900930 0.70 KDM4E (0.55) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL18830711 0.69 SKP2 (0.41) MAPTALDH1A1HTTTSPOHPGD
SCHEMBL18361179 0.69 TSPO (0.39) MAPTMEN1KMT2AALDH1A1TSPO
SCHEMBL28393607 0.68 MAPT (0.42) MAPTMEN1KMT2ABAZ2BALDH1A1

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
WO-2015121239-A1 ORGANIC MOLECULE HAVING SMALL TRIPLET-SINGLET ENERGY SPACINGS FOR EFFECTIVE DELAYED FLUORESCENCE FOR APPLICATION IN OPTOELECTRONIC DEVICES YERSIN HARTMUT (DE) 2015-08-20 WO disclosed