SCHEMBL990490

SCHEMBL990490

Nc1ccc(C(=O)N2CCN(C(=O)c3ccc(N)c(N)c3)CC2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
TP53 P04637 1/20 0.50
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA7 P43166 4/20 0.49
CA9 Q16790 4/20 0.49
CA14 Q9ULX7 3/20 0.49
LRRK2 Q5S007 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.48
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SERPINE1 P05121 1/20 0.47
AKR1C1 Q04828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2956998 0.92 HPGD (0.62) L3MBTL3L3MBTL1ALDH1A1HPGDCA12
SCHEMBL3046514 0.91 KMT2A (0.62) L3MBTL1ALDH1A1HPGDTP53MEN1
SCHEMBL2954121 0.91 HPGD (0.66) L3MBTL3L3MBTL1ALDH1A1HPGDCA12
SCHEMBL23021184 0.88 L3MBTL1 (0.46) L3MBTL3L3MBTL1ALDH1A1HPGDTP53
SCHEMBL546571 0.88 PKM (0.62) L3MBTL1ALDH1A1HPGDKMT2AKDM4E
SCHEMBL16054015 0.87 ALDH1A1 (0.50) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL2947507 0.86 PKM (0.60) L3MBTL1ALDH1A1HPGDKMT2AKDM4E
SCHEMBL16054060 0.83 HRH3 (0.53) HPGDSMN1; SMN2
SCHEMBL15880929 0.79 ALDH1A1 (0.59) L3MBTL1ALDH1A1HPGDTP53KMT2A
SCHEMBL5924169 0.78 HPGD (0.58) L3MBTL3L3MBTL1ALDH1A1HPGDCA12

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