SCHEMBL13019237

SCHEMBL13019237

Brc1ccc(-c2cnc3c(ccc4ccccc43)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BIRC5 O15392 1/20 0.43
PARP1 P09874 4/20 0.42
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
CLK1 P49759 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CYP2A6 P11509 1/20 0.37

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
SCHEMBL12786342 0.92 KDM4E (0.54) CYP1B1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL30547066 0.86 KDM4E (0.62) KDM4ENPC1NFKB1RAB9ANFKB2
SCHEMBL13019223 0.86 KDM4E (0.62) KDM4ENPC1NFKB1RAB9ANFKB2
SCHEMBL31577402 0.81 CYP2A6 (0.43) CYP1A1CYP1A2CYP1B1NPC1RAB9A
SCHEMBL19794328 0.81 CYP2A6 (0.43) CYP1A1CYP1A2CYP1B1NPC1RAB9A
SCHEMBL18695363 0.81 CCR1 (0.54) CYP1A2KDM4ENPC1NFKB1RAB9A
SCHEMBL19933628 0.79 ALDH1A1 (0.40) CYP1A1CYP1A2CYP1B1KDM4ENPC1
SCHEMBL13019241 0.78 NPC1 (0.49) CYP1A1CYP1A2CYP1B1KDM4ENPC1
SCHEMBL23980769 0.77 CYP11B1 (0.55) KDM4ENPC1NFKB1RAB9ANFKB2
SCHEMBL19794380 0.77 KDM4E (0.42) CYP1B1KDM4ENPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858724-B2 Polymeric, phosphorescent, organically semi-conductive emitter materials based on perarylated boranes, method for their production and use thereof OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2010-12-28 US disclosed
US-7858724-B2 Polymeric, phosphorescent, organically semi-conductive emitter materials based on perarylated boranes, method for their production and use thereof OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2010-12-28 US disclosed
EP-1699898-B1 POLYMERIC, PHOSPHORESCENT, ORGANICALLY SEMI-CONDUCTIVE EMITTER MATERIALS BASED ON PERARYLATED BORANES, METHOD FOR THEIR PRODUCTION AND USE THEREOF OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2008-10-29 EP disclosed
US-20070191587-A1 Polymeric, phosphorescent, organically semi-conductive emitter materials based on perarylated boranes, method for their production and use thereof OSRAM OLED GMBH (DE) 2007-08-16 US disclosed
US-20070191587-A1 Polymeric, phosphorescent, organically semi-conductive emitter materials based on perarylated boranes, method for their production and use thereof OSRAM OLED GMBH (DE) 2007-08-16 US disclosed