SCHEMBL8770581

SCHEMBL8770581

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 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
GAA P10253 1/20 0.45
NPC1 O15118 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MLYCD O95822 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NAMPT P43490 1/20 0.43
SAE1 Q9UBE0 1/20 0.42

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
SCHEMBL8770181 0.89 KMT2A (0.52) MAPTKMT2ARAB9AKDM4EMEN1
SCHEMBL8770323 0.89 KMT2A (0.52) MAPTKMT2ARAB9AKDM4EMEN1
SCHEMBL8770365 0.88 PTPN1 (0.42) MAPTKMT2ARAB9AKDM4EMEN1
SCHEMBL8770325 0.86 MAPT (0.39) MAPTKMT2ARAB9AKDM4EMEN1
SCHEMBL8770347 0.86 EPHX2 (0.51) MAPTKMT2ARAB9AKDM4EMEN1
SCHEMBL8770248 0.85 NPC1 (0.42) KMT2ARAB9AMEN1NPC1MLYCD
SCHEMBL8770375 0.85 RAB9A (0.48) MAPTKMT2ARAB9AKDM4EMEN1
SCHEMBL8770257 0.85 NPC1 (0.44) MAPTKMT2ARAB9AKDM4EMEN1
SCHEMBL8770417 0.85 NPC1 (0.44) RAB9ANPC1PSEN1PSEN2APH1B
SCHEMBL8770391 0.83 CYP19A1 (0.38) MAPTKMT2ARAB9AMEN1LMNA

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