SCHEMBL6128530

SCHEMBL6128530

Clc1ccc(Br)c(-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 13/20 0.41
S100A4 P26447 2/20 0.38
AKR1A1 P14550 1/20 0.38
AKR1B1 P15121 1/20 0.38
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL25818473 0.84 PGR (0.41) PDK2S100A4AKR1A1AKR1B1PGR
SCHEMBL26808479 0.82 PDK2 (0.45) PDK2S100A4AKR1A1AKR1B1KDM4E
SCHEMBL19001688 0.82 PDK2 (0.47) PDK2S100A4AKR1A1AKR1B1
SCHEMBL23561599 0.81 PDK2 (0.41) PDK2S100A4AKR1A1AKR1B1MEN1
SCHEMBL20687345 0.81 PDK2 (0.36) PDK2S100A4AKR1A1AKR1B1
SCHEMBL20687350 0.79 PDK2 (0.44) PDK2S100A4AKR1A1AKR1B1
SCHEMBL20687340 0.77 PDK2 (0.43) PDK2S100A4AKR1A1AKR1B1
SCHEMBL23561471 0.77 PDK2 (0.46) PDK2AKR1A1AKR1B1MEN1KMT2A
SCHEMBL23561609 0.77 PDK2 (0.46) PDK2AKR1A1AKR1B1MEN1KMT2A
SCHEMBL23561288 0.76 PDK2 (0.40) PDK2S100A4AKR1A1AKR1B1KDM4E

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-9991450-B2 Spiro[cyclopenta[def]triphenylene-4,9′-fluorene] compound and organic light-emitting device having the same CANON KABUSHIKI KAISHA (JP) 2018-06-05 US disclosed
US-20130214267-A1 SPIRO[CYCLOPENTA[def]TRIPHENYLENE-4,9'-FLUORENE] COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-08-22 US disclosed
US-20130214267-A1 SPIRO[CYCLOPENTA[def]TRIPHENYLENE-4,9'-FLUORENE] COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-08-22 US disclosed
WO-2012056919-A1 SPIRO[CYCLOPENTA[def]TRIPHENYLENE-4,9'-FLUORENE] COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-05-03 WO disclosed