SCHEMBL2437235

SCHEMBL2437235

NC(=O)c1cnc(-c2cc[c]cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MKNK1 Q9BUB5 5/20 0.41
MKNK2 Q9HBH9 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGDS O60760 3/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
SARM1 Q6SZW1 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
SIRT4 Q9Y6E7 1/20 0.37
GRM5 P41594 1/20 0.36
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1244783 0.80 SMN1; SMN2 (0.56) NNMTSMN1; SMN2MKNK1MKNK2L3MBTL1
SCHEMBL12855306 0.77 NNMT (0.46) NNMTSMN1; SMN2MKNK1MKNK2PARP1
SCHEMBL3407188 0.76 NNMT (0.56) NNMTSMN1; SMN2MKNK1MKNK2L3MBTL1
SCHEMBL534160 0.75 NPC1 (0.50) SMN1; SMN2KDM4EMAPTHSD17B10MEN1
SCHEMBL323980 0.75 CA2 (0.53) MKNK1MKNK2L3MBTL1MAPTHSD17B10
SCHEMBL55043 0.74
SCHEMBL30033603 0.72 AR (0.49) NNMTSMN1; SMN2MKNK1MKNK2L3MBTL1
SCHEMBL533702 0.71 HDAC4 (0.40) SMN1; SMN2KDM4EHPGDSMAPTHSD17B10
SCHEMBL12499609 0.71 HDAC4 (0.40) SMN1; SMN2KDM4EHPGDSMAPTHSD17B10
SCHEMBL534059 0.71 NPC1 (0.46) SMN1; SMN2KDM4EHPGDSMAPTHSD17B10

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-2364296-A1 PYRROLIDINES Pfizer Limited (GB) 2011-09-14 EP disclosed
WO-2010052625-A1 PYRROLIDINES PFIZER LIMITED (GB) 2010-05-14 WO disclosed