SCHEMBL7685533

SCHEMBL7685533

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccoc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.57
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
F10 P00742 1/20 0.42
NAMPT P43490 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
METAP1 P53582 1/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC3 O15379 1/20 0.40
BRD9 Q9H8M2 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL6811054 0.83 NAMPT (0.54) PTK2KCNK3KCNK9KMT2AMEN1
SCHEMBL2829176 0.83 POLB (0.56) RXFP1KMT2AMEN1F10NAMPT
SCHEMBL13949629 0.82 MEN1 (0.54) MAPTRECQLRXFP1KMT2AMEN1
SCHEMBL5226165 0.81 ATR (0.45) PTK2KMT2AMEN1NAMPTHDAC1
SCHEMBL2880191 0.81 LMNA (0.54) RECQLRXFP1KMT2AMEN1NAMPT
SCHEMBL12666625 0.79 PTK2 (0.58) PTK2KCNK3KCNK9MAPTRECQL
SCHEMBL3662421 0.79 F10 (0.53) MAPTRECQLKMT2AMEN1F10
SCHEMBL1066788 0.79 F10 (0.53) MAPTRECQLRXFP1KMT2AMEN1
SCHEMBL12772560 0.79 NPC1 (0.57) MAPTKMT2AMEN1F10NAMPT
SCHEMBL8350943 0.78 NAMPT (0.49) MAPTRECQLRXFP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403617-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMANHERPESVIRUSES-6 AND -7, AND KAPOSI HERPESVIRUS AMERICAN HOME PRODUCTS CORP. 2002-06-11 US disclosed