SCHEMBL3910191

SCHEMBL3910191

NC(=O)CC(c1ccccc1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
SPHK2 Q9NRA0 2/20 0.55
SPHK1 Q9NYA1 1/20 0.55
NR4A2 P43354 1/20 0.55
MAOB P27338 2/20 0.52
ALOX5 P09917 1/20 0.52
CTSA P10619 1/20 0.50
SMPD1 P17405 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
SRD5A2 P31213 1/20 0.49
PARP10 Q53GL7 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49

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
SCHEMBL11072773 0.89 KMT2A (0.67) KMT2ASMN1; SMN2SPHK2SPHK1NR4A2
SCHEMBL3443361 0.88 KMT2A (0.82) KMT2ASMN1; SMN2SPHK2SPHK1NR4A2
SCHEMBL3443228 0.88 SMN1; SMN2 (0.66) KMT2ASMN1; SMN2SPHK2SPHK1NR4A2
SCHEMBL3442729 0.86 KMT2A (0.64) KMT2ASMN1; SMN2SPHK2SPHK1NR4A2
SCHEMBL3442847 0.86 KMT2A (0.64) KMT2ASMN1; SMN2SPHK2SPHK1NR4A2
SCHEMBL21644966 0.82 KMT2A (0.59) KMT2ASMN1; SMN2SPHK2SPHK1NR4A2
SCHEMBL20103492 0.82 KMT2A (0.59) KMT2ASMN1; SMN2SPHK2SPHK1NR4A2
SCHEMBL8415625 0.82 KMT2A (0.62) KMT2ASMN1; SMN2NR4A2MAOBALOX5
SCHEMBL11079578 0.79 KMT2A (0.58) KMT2ASMN1; SMN2SPHK2SPHK1NR4A2
SCHEMBL8771185 0.79 SMN1; SMN2 (0.73) KMT2ASMN1; SMN2NR4A2MAOBALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725238-A4 M 3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-04-01 EP claimed
EP-1725238-A2 M 3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP claimed
WO-2005094251-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 WO claimed
EP-1725238-A4 M 3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-04-01 EP disclosed
EP-1725238-A2 M 3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP disclosed
WO-2005094251-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 WO disclosed