SCHEMBL6119983

SCHEMBL6119983

CCNC(=O)c1nc(C)no1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 2/20 0.36
BACE1 P56817 1/20 0.35
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR1 P21554 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIN1 Q13526 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34

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
SCHEMBL21496535 0.82 L3MBTL1 (0.45) POLBHPGDNPC1KDM4ERAB9A
SCHEMBL8002161 0.81 KDM4E (0.49) GAABACE1KDM4EMAPTRAB9A
SCHEMBL20663408 0.81 CA12 (0.37) GAAPOLBBACE1NPC1KDM4E
SCHEMBL4492502 0.79 KLKB1 (0.39) GAACYP2C19HDAC4HDAC6HPGD
SCHEMBL3352452 0.79 PLK1 (0.41) GAAHDAC4HDAC6HPGDBACE1
SCHEMBL8000377 0.79 SMPD1 (0.39) GAAHDAC6BACE1KDM4EMAPT
SCHEMBL17664609 0.77 GAA (0.40) GAACYP2C19HDAC4HDAC6HPGD
SCHEMBL18336602 0.76 HSP90AB1 (0.33) BACE1NPC1KDM4EHSD17B10MAPT
SCHEMBL30129915 0.75 MAPT (0.61) GAAHDAC4HDAC6POLBKDM4E
SCHEMBL8005374 0.74 IRAK4 (0.37) GAABACE1KDM4EMAPTDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640724-A1 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-09-25 EP disclosed
WO-2012066234-A9 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-11-01 WO disclosed
WO-2012066234-A1 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-24 WO disclosed
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1487828-B1 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LTD (GB) 2008-11-05 EP disclosed