SCHEMBL2932995

SCHEMBL2932995

CC(=O)Oc1ccc(N)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
KDM4E B2RXH2 3/20 0.46
CYP3A4 P08684 2/20 0.46
FLT3 P36888 1/20 0.45
ACHE P22303 2/20 0.45
CA2 P00918 6/20 0.44
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP19A1 P11511 1/20 0.42
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2600214 0.83 ACHE (0.54) LMNAKDM4ECYP3A4FLT3ACHE
SCHEMBL8147687 0.82 FLT3 (0.53) LMNAKDM4ECYP3A4FLT3ACHE
SCHEMBL30046782 0.81 NCEH1 (0.59) LMNAACHECA2PKMGAA
SCHEMBL11957057 0.79 ACHE (0.59) LMNAKDM4ECYP3A4FLT3ACHE
SCHEMBL377673 0.79 CYP3A4 (0.52) LMNAKDM4ECYP3A4ACHECA2
SCHEMBL9477989 0.79 KDM4E (0.56) LMNAKDM4ECYP3A4ACHECA2
SCHEMBL28382964 0.79 KDM4E (0.61) LMNAKDM4ECYP3A4FLT3ACHE
SCHEMBL15443096 0.79 CYP3A4 (0.56) LMNAKDM4ECYP3A4FLT3ACHE
SCHEMBL7122865 0.79 NR4A1 (0.46) LMNAKDM4ECYP3A4FLT3CA2
SCHEMBL27814169 0.79 LMNA (0.44) LMNAKDM4ECYP3A4FLT3ACHE

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081897-B1 ISOINDOL DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-15 EP disclosed
EP-2081897-A1 ISOINDOL DERIVATIVES AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-07-29 EP disclosed
CN-100471838-C VLA-4 inhibitors DAIICHI SEIYAKU CO (JP) 2009-03-25 CN disclosed
CN-100396680-C Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2008-06-25 CN disclosed
WO-2008046798-A1 ISOINDOL DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-04-24 WO disclosed
CN-1699363-A Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2005-11-23 CN disclosed
CN-1483024-A Vla-4 inhibitors ��һ��������ҩ��ʽ���� 2004-03-17 CN disclosed