SCHEMBL5576893

SCHEMBL5576893

N#Cc1ccc(-n2c(=O)c3cc4c(=O)n(-c5ccc(C#N)cc5)c(=O)c4cc3c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA1 P00915 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
MIF P14174 3/20 0.45
PDE10A Q9Y233 1/20 0.43
ELANE P08246 1/20 0.42
POLB P06746 1/20 0.42
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAPK1 P28482 2/20 0.41
G6PD P11413 2/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP2 O95551 1/20 0.39

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
SCHEMBL12672906 0.83 ELANE (0.44) CA12CA2CA9CA1TRPV1
SCHEMBL6675514 0.82 CA12 (0.65) CA12CA2CA9CA1POLB
SCHEMBL23259740 0.77 KDM4E (0.43) TRPV1PDE10APOLBMAPK1G6PD
SCHEMBL5575559 0.77 LMNA (0.49) CA12CA2CA9CA1POLB
SCHEMBL18019950 0.74 SLC22A12 (0.43) PDE10AELANEPOLBG6PDTDP2
SCHEMBL16596826 0.74 CA1 (0.49) CA2CA1TRPV1PDE10AMAPK1
SCHEMBL760529 0.74 CA12 (0.57) CA12CA2CA9CA1POLB
SCHEMBL29096234 0.73 LMNA (0.60) TRPV1LMNAKDM4EALDH1A1TDP2
SCHEMBL5576251 0.73 KIF11 (0.41) TRPV1MIFELANEPOLBKDM4E
SCHEMBL17878218 0.72 CA12 (0.55) CA12CA2CA9CA1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168327-B2 Imide derivative, material for organic electroluminescent device and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-05-01 US disclosed
US-20070160905-A1 NOVEL IMIDE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-07-12 US disclosed