SCHEMBL5846604

SCHEMBL5846604

Brc1ccc2c(c1Br)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDK2 Q15119 6/20 0.35
S100A4 P26447 1/20 0.34
CYP1A2 P05177 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
PTPRC P08575 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL29573891 1.00 KDM4E (0.38) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL19164650 0.98 S100A4 (0.37) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL6830565 0.89 MEN1 (0.42) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL5847445 0.87 PDK2 (0.32) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL30231892 0.81 KDM4E (0.42) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL15213650 0.81 KDM4E (0.42) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL1982886 0.81 PDK2 (0.33) MEN1KMT2APDK2S100A4CYP1A2
SCHEMBL19530895 0.79 MEN1 (0.41) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL26808385 0.79 ALDH1A1 (0.43) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL16810779 0.78 PDK2 (0.40) KDM4EMEN1LMNAMAPTOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7088757-B1 Use of spiro compounds as laser dyes SEMICONDUCTORS GMBH (DE) 2006-08-08 US disclosed
EP-1053578-B1 USE OF SPIRO COMPOUNDS AS LASER DYES COVION ORGANIC SEMICONDUCTORS (DE) 2002-05-08 EP disclosed
EP-1053578-A1 USE OF SPIRO COMPOUNDS AS LASER DYES Axiva GmbH (DE) 2000-11-22 EP disclosed
WO-1999040655-A1 USE OF SPIRO COMPOUNDS AS LASER DYES AXIVA GMBH (DE) 1999-08-12 WO disclosed