SCHEMBL8770375

SCHEMBL8770375

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
IL18 Q14116 1/20 0.48
NAMPT P43490 1/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MLYCD O95822 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PSMB5 P28074 1/20 0.43

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 0.89 KMT2A (0.52) RAB9AMAPTKMT2AKDM4EMEN1
SCHEMBL8770181 0.89 KMT2A (0.52) RAB9AMAPTKMT2AKDM4EMEN1
SCHEMBL8770321 0.86 MCHR1 (0.41) RAB9AMAPTKDM4ELMNAPKM
SCHEMBL8770347 0.86 EPHX2 (0.51) RAB9AMAPTKMT2AKDM4EMEN1
SCHEMBL8770581 0.85 MAPT (0.48) RAB9AMAPTKMT2AKDM4EMEN1
SCHEMBL8770302 0.85 F2 (0.49) RAB9AMAPTKDM4EPOLBNPC1
SCHEMBL8770283 0.85 NPC1 (0.46) RAB9AMAPTKMT2AKDM4EMEN1
SCHEMBL8770365 0.73 PTPN1 (0.42) RAB9AMAPTKMT2AKDM4EMEN1
SCHEMBL4113073 0.73 MAPT (0.71) RAB9AMAPTKMT2AKDM4EMEN1
SCHEMBL8770638 0.73 NPC1 (0.51) RAB9AMAPTKMT2AKDM4EMEN1

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