SCHEMBL8596133

SCHEMBL8596133

CC(=O)Nc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(F)cc3)[nH]c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.53
▸ MEN1 O00255 6/20 0.53
▸ POLB P06746 2/20 0.53
▸ GAA P10253 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ IDO1 P14902 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ CSNK2A2 P19784 1/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ CSNK2A3 Q8NEV1 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CCNA2 P20248 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
SCHEMBL8596135 1.00 KMT2A (0.53) KMT2AMEN1POLBGAALMNA
SCHEMBL6376088 0.87 SERPINE1 (0.56) KMT2AMEN1POLBGAAMAPT
SCHEMBL6376092 0.87 SERPINE1 (0.56) KMT2AMEN1POLBGAAMAPT
SCHEMBL6374742 0.86 LRRK2 (0.55) KMT2AMEN1POLBGAAIDO1
SCHEMBL6374734 0.86 LRRK2 (0.55) KMT2AMEN1POLBGAAIDO1
SCHEMBL6373090 0.85 SERPINE1 (0.42) KMT2AMEN1POLBGAALMNA
SCHEMBL6373085 0.85 SERPINE1 (0.42) KMT2AMEN1POLBGAALMNA
SCHEMBL6371821 0.84 SMN1; SMN2 (0.46) KMT2AMEN1POLBMAPTNPC1
SCHEMBL6371814 0.84 SMN1; SMN2 (0.46) KMT2AMEN1POLBMAPTNPC1
SCHEMBL6373302 0.83 KMT2A (0.45) KMT2AMEN1POLBGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655060-B1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LTD (GB) 1998-01-14 — — EP claimed
EP-0655060-B1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LTD (GB) 1998-01-14 — — EP disclosed
US-5700804-A INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITORS XENOVA LIMITED (GB) 1997-12-23 — — US disclosed
EP-0655060-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1995-05-31 — — EP disclosed
WO-1994004512-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1994-03-03 — — WO disclosed
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