SCHEMBL6206853

SCHEMBL6206853

O=C(O)c1cnc(OCc2c(Cl)cccc2Cl)cn1.OCc1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AKR1B1 P15121 1/20 0.37
ALKBH1 Q13686 1/20 0.37
GAA P10253 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
P4HTM Q9NXG6 1/20 0.36
NR4A2 P43354 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MET P08581 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
SCHEMBL6079114 0.95 SMN1; SMN2 (0.43) SMN1; SMN2MRGPRX4KDM4EALDH1A1MEN1
SCHEMBL6206439 0.77 GABRA1 (0.44) SMN1; SMN2KMT2ASGMS2
SCHEMBL6206177 0.74 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1KMT2ASGMS2
SCHEMBL30723732 0.71 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1KMT2ASGMS2
SCHEMBL6203080 0.69 KDM4E (0.41) SMN1; SMN2KDM4EALDH1A1GAASGMS2
SCHEMBL6238555 0.69 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EALDH1A1KMT2AMET
SCHEMBL27333081 0.68 KMT2A (0.37) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL30723605 0.68 KMT2A (0.37) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6238556 0.68 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2ASGMS2
SCHEMBL110369 0.67 AKR1B1 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2AAKR1B1

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-1545523-A1 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS Astex Technology Limited (GB) 2005-06-29 EP 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