SCHEMBL8770347

SCHEMBL8770347

CCOC(=O)COc1ccc(NC(=O)NC(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
IL18 Q14116 1/20 0.49
IDH1 O75874 1/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CXCR1 P25024 1/20 0.44

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
SCHEMBL8770323 0.90 KMT2A (0.52) MAPTLMNAPOLBKDM4ERAB9A
SCHEMBL8770181 0.90 KMT2A (0.52) MAPTLMNAPOLBKDM4ERAB9A
SCHEMBL8770581 0.86 MAPT (0.48) MAPTLMNAPOLBKDM4ERAB9A
SCHEMBL8770375 0.86 RAB9A (0.48) MAPTLMNAPOLBKDM4ERAB9A
SCHEMBL8770242 0.84 EPHX2 (0.51) EPHX2MAPTLMNAPOLBKDM4E
SCHEMBL8770627 0.84 EPHX2 (0.51) EPHX2MAPTLMNAPOLBKDM4E
SCHEMBL22192691 0.82 NPC1 (0.65) EPHX2MAPTLMNAPOLBKDM4E
SCHEMBL1251594 0.82 GAA (0.62) MAPTPOLBKDM4EKMT2AMEN1
SCHEMBL1668701 0.80 EPHX2 (0.59) EPHX2MAPTLMNAPOLBRAB9A
SCHEMBL22192234 0.77 NPC1 (0.59) EPHX2MAPTLMNAPOLBKDM4E

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-0632019-B1 Acylureas ZENECA LTD (GB) 1997-09-24 EP disclosed
US-5576334-A ANTICOAGULANTS ZENECA LIMITED (GB) 1996-11-19 US disclosed
EP-0632019-A1 Acylureas ZENECA LIMITED (GB) 1995-01-04 EP disclosed