SCHEMBL13114122

SCHEMBL13114122

COc1c(-c2ccccc2)nc(-c2nc(-c3ccccc3)c(OC)c(-c3ccccc3)n2)nc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
WHR1 P49842 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.44
DPP4 P27487 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL27852651 0.78 LMNA (0.48) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL6918476 0.75 DHPS (0.55) WHR1ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL27759823 0.75 DHPS (0.49) WHR1ALDH1A1KDM4ELMNANPSR1
SCHEMBL13114121 0.75 ALDH1A1 (0.55) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL14280963 0.72 SMN1; SMN2 (0.59) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL5249424 0.71 PDE4B (0.50) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL15742422 0.71 DHPS (0.60) KDM4EPOLBDPP4MEN1KMT2A
SCHEMBL5254991 0.71 DHPS (0.60) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL12181771 0.69 PDE4B (0.71) SMN1; SMN2ALDH1A1KDM4ELMNANPSR1
SCHEMBL23177134 0.68 DPP4 (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815416-B2 Organic electroluminescent device using a bipyrimidine compound NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-08-26 US disclosed
US-8815416-B2 Organic electroluminescent device using a bipyrimidine compound NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-08-26 US disclosed
EP-2239255-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Nippon Steel Chemical Co., Ltd. (JP) 2010-10-13 EP disclosed
US-20100244013-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2010-09-30 US disclosed
US-20100244013-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2010-09-30 US disclosed