SCHEMBL9209754

SCHEMBL9209754

CCNC(=O)ONC(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
APAF1 O14727 1/20 0.45
PKM P14618 1/20 0.44
CASR P41180 1/20 0.44
TSHR P16473 1/20 0.44
GPR139 Q6DWJ6 2/20 0.43
POLB P06746 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.41
EPHX2 P34913 2/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
ANPEP P15144 1/20 0.41

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
SCHEMBL28303246 0.84 HTT (0.47) MEN1KMT2APOLB
SCHEMBL27821681 0.78 HDAC6 (0.49) MEN1KMT2AAPAF1POLBCTDSP1
SCHEMBL28010037 0.78 HDAC6 (0.49) MEN1KMT2AAPAF1POLBCTDSP1
SCHEMBL28493115 0.77 KMT2A (0.47) MEN1KMT2AAPAF1CASRTSHR
SCHEMBL28493114 0.77 KMT2A (0.47) MEN1KMT2AAPAF1CASRTSHR
SCHEMBL10638831 0.77 OPRM1 (0.53) MEN1KMT2APKMLTB4RLTB4R2
SCHEMBL7511468 0.76 HDAC3 (0.49) MEN1KMT2AAPAF1PKMHSD17B10
SCHEMBL27882319 0.76 HDAC6 (0.47) MEN1KMT2AAPAF1POLBCTDSP1
SCHEMBL7398854 0.75 POLB (0.51) MEN1KMT2AAPAF1POLBMAPT
SCHEMBL10154589 0.75 CASR (0.69) MEN1KMT2ACASRGPR139POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655055-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-05-31 EP disclosed