SCHEMBL9550361

SCHEMBL9550361

N#CNC(=O)CCC(=O)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
MAPT P10636 2/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HDAC4 P56524 8/20 0.55
HDAC1 Q13547 8/20 0.55
HDAC7 Q8WUI4 8/20 0.55
HDAC11 Q96DB2 8/20 0.55
HDAC8 Q9BY41 8/20 0.55
HDAC6 Q9UBN7 8/20 0.55
HDAC9 Q9UKV0 8/20 0.55
HDAC5 Q9UQL6 8/20 0.55
HDAC3 O15379 7/20 0.55
HDAC2 Q92769 7/20 0.55
HDAC10 Q969S8 7/20 0.55
CYP3A4 P08684 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 1/20 0.54
KDM4E B2RXH2 1/20 0.53
BRD4 O60885 1/20 0.53

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
SCHEMBL3342586 0.84 L3MBTL1 (0.80) L3MBTL1MAPTHTTSMN1; SMN2HDAC4
SCHEMBL94252 0.79 L3MBTL1 (0.89) L3MBTL1MAPTHTTSMN1; SMN2HDAC4
SCHEMBL11162134 0.77 CYP3A4 (0.71) L3MBTL1MAPTHTTSMN1; SMN2HDAC4
SCHEMBL12112926 0.77 MAPT (0.79) L3MBTL1MAPTHTTSMN1; SMN2HDAC4
SCHEMBL9166334 0.77 SMN1; SMN2 (0.64) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL517309 0.77 HDAC4 (0.81) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6296181 0.77 HDAC4 (0.75) L3MBTL1MAPTHTTHDAC4HDAC1
SCHEMBL28058043 0.76 L3MBTL1 (0.62) L3MBTL1MAPTHTTSMN1; SMN2HDAC4
SCHEMBL14934810 0.76 HDAC4 (0.64) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL29065674 0.76 MAPT (0.57) L3MBTL1MAPTHTTSMN1; SMN2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed
EP-0484381-A1 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1992-05-13 EP disclosed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO disclosed