SCHEMBL9496590

SCHEMBL9496590

O=C1CC(=O)N(c2ccccc2)C(=O)N1CCO

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 3/20 0.50
USP2 O75604 2/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.41
TLR9 Q9NR96 1/20 0.41
OPRK1 P41145 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 3/20 0.40
ENPP2 Q13822 2/20 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
SCHEMBL17717923 0.90 MEN1 (0.56) MEN1KMT2AMAPTGAAUSP2
SCHEMBL17717965 0.85 MAPT (0.62) MEN1KMT2AMAPTGAAUSP2
SCHEMBL11652238 0.84 MEN1 (0.50) MEN1KMT2AMAPTGAAUSP2
SCHEMBL11750989 0.84 MEN1 (0.50) MEN1KMT2AMAPTGAAUSP2
SCHEMBL11651629 0.83 KMT2A (0.76) MEN1KMT2AMAPTGAAUSP2
SCHEMBL10444255 0.82 MEN1 (0.45) MEN1KMT2AMAPTGAAUSP2
SCHEMBL5451996 0.81 NPC1 (0.55) MEN1KMT2AMAPTGAAUSP2
SCHEMBL11653327 0.80 MAPT (0.46) MEN1KMT2AMAPTGAAUSP2
SCHEMBL5443739 0.80 HPGD (0.46) MEN1KMT2AMAPTGAAUSP2
SCHEMBL9501072 0.80 SCN2A (0.42) MEN1KMT2AMAPTGAAL3MBTL1

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-5256784-A Merocyanine dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-26 US disclosed
US-4097475-A FOR POLYESTERS AND BLENDS WITH CELLULOSE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-06-27 US disclosed