SCHEMBL990488

SCHEMBL990488

Nc1ccc(C(=O)C2CNCCN2C(=O)c2ccc(N)c(N)c2)cc1N

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA4 P22748 4/20 0.40
CA9 Q16790 4/20 0.40
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD11B1 P28845 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
SCHEMBL3951489 0.83 GAA (0.42) CA1CA2CA4CA9L3MBTL1
SCHEMBL988605 0.80 KDM4E (0.41) CA1CA2CA4CA9
SCHEMBL11590269 0.76 SIGMAR1 (0.53) CA1CA2CA4CA9
SCHEMBL8996790 0.74 OPRD1 (0.44) CA1CA2CA4CA9
SCHEMBL1115469 0.73 LMNA (0.41) L3MBTL1HSD11B1
SCHEMBL28303993 0.70 CHRNB2 (0.52)
SCHEMBL3801432 0.69 SIGMAR1 (0.46) CA1CA2CA4CA9
SCHEMBL9064549 0.69 SSTR4 (0.39)
SCHEMBL30493846 0.69 SIGMAR1 (0.50) CA1CA2CA4CA9
SCHEMBL990490 0.68 L3MBTL3 (0.51) CA1CA2CA9L3MBTL3L3MBTL1

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-20130224653-A1 CROSSLINKED POLYIMIDE, COMPOSITION COMPRISING THE SAME AND METHOD FOR PRODUCING THE SAME PI R&D CO., LTD (JP) 2013-08-29 US disclosed
US-20110136061-A1 CROSSLINKED POLYIMIDE, COMPOSITION COMPRISING THE SAME AND PROCESS FOR PRODUCING THE SAME ITATANI HIROSHI 2011-06-09 US disclosed
EP-1614704-B1 CROSSLINKED POLYIMIDE, COMPOSITION COMPRISING THE SAME AND METHOD FOR PRODUCING THE SAME PI R & D CO LTD (JP) 2011-01-19 EP disclosed
US-20070106056-A1 Crosslinked polyimide, composition comprising the same and method for producing the same PI R&D CO., LTD. (JP) 2007-05-10 US disclosed
EP-1614704-A1 CROSSLINKED POLYIMIDE, COMPOSITION COMPRISING THE SAME AND METHOD FOR PRODUCING THE SAME PI R & D Co. Ltd (JP) 2006-01-11 EP disclosed