SCHEMBL16182154

SCHEMBL16182154

O=C(c1ccc(-c2c3ccccc3c(C3=CC=CCC3)c3ccccc23)cc1)c1cccc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CTSL P07711 3/20 0.35
BRD4 O60885 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.34
PARP1 P09874 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
KDR P35968 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL283198 0.80 ATM (0.50) MAOAMAOBCTSLBRD4NPC1
SCHEMBL328562 0.74 MAOA (0.49) MAOAMAOBCTSLBRD4NPC1
SCHEMBL28861070 0.73 ESR1 (0.35) TDP1L3MBTL1MAPTHTT
SCHEMBL19789071 0.73 PARP1 (0.45) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL22172116 0.70 ATM (0.59) BRD4NPC1RAB9ATDP1L3MBTL1
SCHEMBL17125443 0.70
SCHEMBL3838580 0.70 PARP1 (0.63) MAOAMAOBCTSLBRD4TDP1
SCHEMBL328648 0.69 HDAC8 (0.60) MAOAMAOBTDP1L3MBTL1ALDH1A1
SCHEMBL40538 0.68 ATM (0.71) MAOAMAOBBRD4NPC1RAB9A
SCHEMBL18562454 0.68 CHRNB4 (0.40) MAOAMAOBNPC1RAB9AALDH1A1

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
EP-2428512-B1 Fluorene compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LAB (JP) 2014-10-22 EP disclosed