SCHEMBL8573167

SCHEMBL8573167

COc1ccc(/C=C2/NC(=O)CN(C(C)=O)C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.64
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 4/20 0.53
CLK1 P49759 2/20 0.48
DYRK1A Q13627 2/20 0.48
GSK3B P49841 1/20 0.48
PSMB5 P28074 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
DYRK2 Q92630 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
BRD4 O60885 6/20 0.46
BRD2 P25440 5/20 0.46
PIM1 P11309 1/20 0.45
AKR1B1 P15121 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL8411263 1.00 HRH3 (0.64) HRH3MEN1KMT2AALDH1A1CLK1
SCHEMBL8411264 1.00 HRH3 (0.64) HRH3MEN1KMT2AALDH1A1CLK1
SCHEMBL6133033 0.85 MEN1 (0.56) HRH3MEN1KMT2AALDH1A1DYRK1A
SCHEMBL6133031 0.85 MEN1 (0.56) HRH3MEN1KMT2AALDH1A1DYRK1A
SCHEMBL79547 0.84 MEN1 (0.66) HRH3MEN1KMT2AALDH1A1PSMB5
SCHEMBL7362683 0.84 MEN1 (0.66) HRH3MEN1KMT2AALDH1A1PSMB5
SCHEMBL1598877 0.84 MEN1 (0.66) HRH3MEN1KMT2AALDH1A1PSMB5
SCHEMBL6132582 0.83 KMT2A (0.53) HRH3MEN1KMT2AALDH1A1PSMB5
SCHEMBL6132584 0.83 KMT2A (0.53) HRH3MEN1KMT2AALDH1A1PSMB5
SCHEMBL6132671 0.82 KMT2A (0.52) HRH3MEN1KMT2AALDH1A1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891877-A INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR XENOVA LIMITED (GB) 1999-04-06 US disclosed
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-0745070-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1996-12-04 EP disclosed
EP-0672036-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1995-09-20 EP disclosed
WO-1995021832-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 WO 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
WO-1994004513-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1994-03-03 WO disclosed