SCHEMBL6205854

SCHEMBL6205854

NC(=O)Oc1cccc(COc2cnccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
SIRT2 Q8IXJ6 7/20 0.43
SIRT3 Q9NTG7 7/20 0.43
SIRT1 Q96EB6 6/20 0.43
MRGPRX4 Q96LA9 1/20 0.40
RXFP1 Q9HBX9 2/20 0.40
MAPK1 P28482 1/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 1/20 0.38
EPHX1 P07099 1/20 0.38
PARP10 Q53GL7 2/20 0.38
MAOB P27338 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP14 Q460N5 1/20 0.38

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
SCHEMBL6079543 0.81 KMT2A (0.49) MEN1KMT2ASMN1; SMN2SIRT2SIRT3
SCHEMBL6079306 0.78 CYP4F2 (0.45) SMN1; SMN2MRGPRX4RXFP1MAPK1
SCHEMBL6079584 0.76 MAOB (0.45) MEN1MRGPRX4RXFP1MAOB
SCHEMBL2492332 0.72 KMT2A (0.47) MEN1KMT2AMAPK1TSHR
SCHEMBL306075 0.72 ADORA3 (0.50) MEN1KMT2ASMN1; SMN2SIRT2SIRT3
SCHEMBL30880791 0.72 ADORA3 (0.50) MEN1KMT2ASMN1; SMN2SIRT2SIRT3
SCHEMBL5249598 0.72 KMT2A (0.65) MEN1KMT2ASMN1; SMN2SIRT2PARP10
SCHEMBL28652467 0.71 RAB9A (0.55) MEN1KMT2AF2PARP10MAOB
SCHEMBL27526614 0.71 KMT2A (0.68) MEN1KMT2ASMN1; SMN2MAOB
SCHEMBL2723540 0.71 KMT2A (0.68) MEN1KMT2ASMN1; SMN2TSHR

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
EP-1545523-A1 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS Astex Technology Limited (GB) 2005-06-29 EP disclosed
WO-2005002673-A1 RAF KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
WO-2004004720-A1 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 WO disclosed