SCHEMBL12516004

SCHEMBL12516004

Nc1cccc(C(=O)NCCCNC(=O)c2cccc(N)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53BP1 Q12888 4/20 0.52
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.50
PBRM1 Q86U86 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL10630944 0.93 ALDH1A1 (0.57) SMN1; SMN2KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL6258472 0.90 SMN1; SMN2 (0.79) SMN1; SMN2KDM4EALDH1A1TP53BP1L3MBTL1
SCHEMBL9576605 0.89 LMNA (0.62) SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL27033126 0.89 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL24051989 0.88 GRIN1 (0.62) SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL10123874 0.88 TERT (0.55) SMN1; SMN2KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL3650167 0.88 HPGD (0.54) SMN1; SMN2KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL15923326 0.88 SMN1; SMN2 (0.69) SMN1; SMN2KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL12497737 0.88 ALDH1A1 (0.64) SMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL9168059 0.88 SMN1; SMN2 (0.69) SMN1; SMN2KDM4EALDH1A1L3MBTL1LMNA

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
EP-2521747-B1 NOVEL RESIN CURING AGENTS HEXCEL COMPOSITES LTD (GB) 2021-06-16 EP disclosed
US-8981033-B2 Resin curing agents HEXCEL COMPOSITES LIMITED (GB) 2015-03-17 US disclosed
US-8981033-B2 Resin curing agents HEXCEL COMPOSITES LIMITED (GB) 2015-03-17 US disclosed
US-20130217803-A1 NOVEL RESIN CURING AGENTS HEXCEL COMPOSITES LIMITED (GB) 2013-08-22 US disclosed
US-20130217803-A1 NOVEL RESIN CURING AGENTS HEXCEL COMPOSITES LIMITED (GB) 2013-08-22 US disclosed
WO-2011083329-A2 NOVEL RESIN CURING AGENTS HEXCEL COMPOSITES LIMITED (GB) 2011-07-14 WO disclosed