SCHEMBL19001590

SCHEMBL19001590

CCCCCCc1cc(C)cc(-n2c3ccccc3c3ccc(Br)cc32)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36
CNR2 P34972 2/20 0.35
PSEN1 P49768 4/20 0.35
PSEN2 P49810 4/20 0.35
APH1B Q8WW43 4/20 0.35
NCSTN Q92542 4/20 0.35
APH1A Q96BI3 4/20 0.35
PSENEN Q9NZ42 4/20 0.35
TSPO P30536 2/20 0.34
MAPT P10636 1/20 0.34
OXER1 Q8TDS5 1/20 0.33
PTGS2 P35354 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL18987170 0.93 RORA (0.39) RORARORCRORBCNR2PSEN1
SCHEMBL4546847 0.91 RORA (0.41) RORARORCRORBPSEN1PSEN2
SCHEMBL31691259 0.84 PSEN1 (0.39) RORARORCRORBCNR2PSEN1
SCHEMBL19001567 0.81 HSD11B1 (0.34) RORARORCRORBPSEN1PSEN2
SCHEMBL20623227 0.81 KDM4E (0.44) TSPOMAPTKDM4EATML3MBTL1
SCHEMBL18748242 0.80 RORA (0.35) RORARORCRORBCNR2PSEN1
SCHEMBL31384458 0.79 RORA (0.45) RORARORCRORBTSPOMAPT
SCHEMBL23495972 0.79 KCNA3 (0.42) RORARORCRORBCNR2PSEN1
SCHEMBL14325105 0.79 RORA (0.46) RORARORCRORBCNR2PSEN1
SCHEMBL27921740 0.79 RORA (0.46) RORARORCRORBCNR2PSEN1

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
EP-3390418-B1 LIGHT-EMITTING COMPOUND CAMBRIDGE DISPLAY TECH LTD (GB) 2020-08-05 EP disclosed
WO-2017103584-A1 LIGHT-EMITTING COMPOUND CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-06-22 WO disclosed
WO-2017103586-A1 LIGHT-EMITTING COMPOSITION CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-06-22 WO disclosed