SCHEMBL13648570

SCHEMBL13648570

CCCCc1ccc(C2(c3ccc(CCCC)cc3)c3cc(Br)ccc3-c3cc4c(cc32)-c2cc3c(cc2C4(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)-c2ccc(Br)cc2C3(c2ccc(CCCC)cc2)c2ccc(CCCC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
NFKB1 P19838 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 5/20 0.33
STS P08842 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
CCR9 P51686 1/20 0.32
SKP2 Q13309 1/20 0.31
LMNA P02545 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ESRRG P62508 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
SCHEMBL4463559 0.86 ESR1 (0.41) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL6123867 0.85 KCNH2 (0.36) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL12311650 0.84 MEN1 (0.37) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL425510 0.84 CNR1 (0.32) CNR1CNR2
SCHEMBL13648569 0.84 CNR1 (0.32) CNR1CNR2
SCHEMBL13648571 0.84 CNR1 (0.32) CNR1CNR2
SCHEMBL13688229 0.84 CNR1 (0.32) CNR1CNR2
SCHEMBL30574290 0.84 CNR1 (0.32) CNR1CNR2
SCHEMBL13648558 0.84 CNR1 (0.32) CNR1CNR2
SCHEMBL2825081 0.83 ESR1 (0.42) NPC1NFKB1RAB9ANFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253883-A1 POLYMERS FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-20090253883-A1 POLYMERS FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-7592622-B2 Polymers for use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2009-09-22 US disclosed
US-7592622-B2 Polymers for use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2009-09-22 US disclosed
US-20070252139-A1 Polymers for Use in Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2007-11-01 US disclosed
US-20070252139-A1 Polymers for Use in Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2007-11-01 US disclosed