SCHEMBL4797481

SCHEMBL4797481

CCOc1ccc(OC)c(N2C(=O)NC(=O)C(=CC=Cc3ccco3)C2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 18/20 0.57
KMT2A Q03164 18/20 0.57
RECQL P46063 15/20 0.57
MAPT P10636 13/20 0.57
NPSR1 Q6W5P4 11/20 0.57
MAPK1 P28482 10/20 0.57
MITF O75030 9/20 0.57
GFER P55789 3/20 0.57
BLM P54132 6/20 0.57
USP2 O75604 2/20 0.57
KDM4C Q9H3R0 2/20 0.57
KDM4A O75164 1/20 0.57
HKDC1 Q2TB90 1/20 0.57
POLB P06746 11/20 0.56
L3MBTL1 Q9Y468 7/20 0.56
ALDH1A1 P00352 6/20 0.56
HPGD P15428 5/20 0.56
HTT P42858 5/20 0.56
LMNA P02545 4/20 0.56
NSD2 O96028 3/20 0.56

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
SCHEMBL3765388 0.84 MEN1 (0.67) MEN1KMT2ARECQLMAPTNPSR1
SCHEMBL3765392 0.84 MEN1 (0.67) MEN1KMT2ARECQLMAPTNPSR1
SCHEMBL13848491 0.72 KMT2A (1.00) MEN1KMT2ARECQLMAPTNPSR1
SCHEMBL26458992 0.72 MEN1 (1.00) MEN1KMT2ARECQLMAPTNPSR1
SCHEMBL14712893 0.72 MEN1 (0.74) MEN1KMT2ARECQLMAPTNPSR1
SCHEMBL15347317 0.68 MAPT (0.65) MEN1KMT2ARECQLMAPTNPSR1
SCHEMBL15347315 0.68 MAPT (0.65) MEN1KMT2ARECQLMAPTNPSR1
SCHEMBL12218053 0.68 MAPT (0.65) MEN1KMT2ARECQLMAPTNPSR1
SCHEMBL14712984 0.67 MEN1 (0.80) MEN1KMT2ARECQLMAPTNPSR1
SCHEMBL3471120 0.67 MEN1 (0.80) MEN1KMT2ARECQLMAPTNPSR1

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-20050142629-A1 Identification of active-site inhibitors of glycosyltransferases using a generalizable high-throughput screen NATIONAL INSTITUTES OF HEALTH 2005-06-30 US claimed
US-7344850-B2 Identification of active-site inhibitors of glycosyltransferases using a generalizable high-throughput screen PRINCETON UNIVERSITY (US) 2008-03-18 US disclosed
US-20050142629-A1 Identification of active-site inhibitors of glycosyltransferases using a generalizable high-throughput screen NATIONAL INSTITUTES OF HEALTH 2005-06-30 US disclosed