SCHEMBL4364951

SCHEMBL4364951

CCCc1nn(Cc2ccccc2Br)c(=O)c(C(=O)OCC)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 4/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 2/20 0.40
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
PDE4D Q08499 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL4362931 0.87 KDM4E (0.46) ALDH1A1KDM4ELMNAHTTRECQL
SCHEMBL3850324 0.83 KDM4E (0.44) ALDH1A1KDM4ELMNASMN1; SMN2HTT
SCHEMBL3857672 0.83 KDM4E (0.47) ALDH1A1KDM4ELMNASMN1; SMN2HTT
SCHEMBL4368342 0.82 AKR1B1 (0.55) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL4357096 0.82 CYP19A1 (0.49) ALDH1A1KDM4ELMNASMN1; SMN2MAPK1
SCHEMBL4367648 0.81 EGLN1 (0.44) KDM4EHTTMEN1KMT2ATSHR
SCHEMBL4360629 0.77 AKR1B1 (0.40) ALDH1A1KDM4EMAPTPKMMEN1
SCHEMBL4360566 0.74 ALDH1A1 (0.40) ALDH1A1KDM4ELMNASMN1; SMN2HTT
SCHEMBL3849089 0.73 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAMAPK1GAA
SCHEMBL3852981 0.72 KDM4E (0.48) ALDH1A1KDM4ELMNASMN1; SMN2HTT

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
EP-2124565-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
WO-2008089052-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO disclosed