SCHEMBL8770323

SCHEMBL8770323

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
POLB P06746 3/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
IL18 Q14116 1/20 0.52
NPC1 O15118 2/20 0.51
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46

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 1.00 KMT2A (0.52) KMT2APOLBKDM4EMAPTRAB9A
SCHEMBL8770347 0.90 EPHX2 (0.51) KMT2APOLBKDM4EMAPTRAB9A
SCHEMBL8770375 0.89 RAB9A (0.48) KMT2APOLBKDM4EMAPTRAB9A
SCHEMBL8770581 0.89 MAPT (0.48) KMT2APOLBKDM4EMAPTRAB9A
SCHEMBL7292912 0.83 ALDH1A1 (0.52) KMT2APOLBKDM4EMAPTRAB9A
SCHEMBL8770653 0.83 NPC1 (0.51) KMT2APOLBKDM4EMAPTRAB9A
SCHEMBL8770183 0.83 NPC1 (0.51) KMT2APOLBKDM4EMAPTRAB9A
SCHEMBL8770638 0.83 NPC1 (0.51) KMT2APOLBKDM4EMAPTRAB9A
SCHEMBL8770227 0.83 NPC1 (0.51) KMT2APOLBKDM4EMAPTRAB9A
SCHEMBL8770197 0.83 NPC1 (0.51) KMT2APOLBKDM4EMAPTRAB9A

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