SCHEMBL4798505

SCHEMBL4798505

CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)C1=Cc1ccc(-c2ccccc2C(=O)O)o1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.80
KMT2A Q03164 5/20 0.80
RAB9A P51151 1/20 0.80
POLB P06746 2/20 0.75
KDM4E B2RXH2 1/20 0.75
MAPT P10636 1/20 0.75
THRB P10828 1/20 0.75
APEX1 P27695 1/20 0.75
RECQL P46063 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
EP300 Q09472 2/20 0.71
XPA P23025 7/20 0.69
PTPN1 P18031 1/20 0.63
KDM1A O60341 1/20 0.63
MAOA P21397 1/20 0.63
MAOB P27338 1/20 0.63
ERO1A Q96HE7 1/20 0.63
GPR55 Q9Y2T6 1/20 0.62
SIRT5 Q9NXA8 1/20 0.60
GFER P55789 1/20 0.59

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
SCHEMBL4798498 1.00 MEN1 (0.80) MEN1KMT2ARAB9APOLBKDM4E
SCHEMBL19652479 0.88 MEN1 (0.88) MEN1KMT2ARAB9APOLBKDM4E
SCHEMBL19652471 0.86 MEN1 (0.74) MEN1KMT2ARAB9APOLBKDM4E
SCHEMBL19653404 0.85 EP300 (0.88) MEN1KMT2ARAB9APOLBKDM4E
SCHEMBL19654118 0.83 MEN1 (0.73) MEN1KMT2ARAB9APOLBKDM4E
SCHEMBL12810379 0.83 MEN1 (0.77) MEN1KMT2ARAB9AMAPTTDP1
SCHEMBL19652470 0.82 XPA (1.00) MEN1KMT2ARAB9APOLBKDM4E
SCHEMBL20840289 0.82 MEN1 (0.90) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL20840288 0.82 MEN1 (0.90) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL26459231 0.81 MEN1 (0.69) MEN1KMT2ARAB9APOLBKDM4E

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