SCHEMBL8330862

SCHEMBL8330862

Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C(=O)O)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPT P10636 4/20 0.55
RECQL P46063 3/20 0.55
TDP2 O95551 1/20 0.55
NGF P01138 1/20 0.55
NTRK1 P04629 1/20 0.55
BLM P54132 1/20 0.55
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
HTT P42858 3/20 0.47
USP2 O75604 3/20 0.47
IDO1 P14902 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HSD17B10 Q99714 3/20 0.45
PTGER4 P35408 1/20 0.45
HCAR3 P49019 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL6032312 0.90 MEN1 (0.55) MEN1KMT2AMAPTRECQLTDP2
SCHEMBL8336544 0.85 MAPT (0.51) MEN1KMT2AMAPTRECQLTDP2
SCHEMBL9635901 0.83 MEN1 (0.61) MEN1KMT2AMAPTRECQLTDP2
Lumiflavin SCHEMBL6373617 0.78 MEN1 (0.72) MEN1KMT2AMAPTRECQLTDP2
SCHEMBL24238131 0.78 MEN1 (0.55) MEN1KMT2AMAPTRECQLTDP2
SCHEMBL29375611 0.78 MEN1 (0.55) MEN1KMT2AMAPTRECQLTDP2
Lumiflavin SCHEMBL29516802 0.77 MEN1 (0.76) MEN1KMT2AMAPTRECQLTDP2
SCHEMBL3476023 0.77 GSR (0.65) MEN1KMT2AMAPTRECQLTDP2
Lumiflavin SCHEMBL193713 0.77 MEN1 (0.76) MEN1KMT2AMAPTRECQLTDP2
Lumiflavin SCHEMBL6365933 0.76 MEN1 (0.74) MEN1KMT2AMAPTRECQLTDP2

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-5925633-A ADMINISTERING AS ANTIMETASTASIS AGENT SYNPHAR LABORATIES, INC. (CA) 1999-07-20 US disclosed
WO-1997032580-A1 3-SUBSTITUTED-4-OXA-1-AZABICYCLO[3,2,0]HEPTAN-7-ONE AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (US) 1997-09-12 WO disclosed