SCHEMBL8937386

SCHEMBL8937386

COc1cc(C(=S)N2CCNCC2)cc(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
MAPT P10636 1/20 0.67
PKM P14618 1/20 0.60
HPGD P15428 3/20 0.54
POLB P06746 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 1/20 0.47
DUSP3 P51452 2/20 0.46
GFER P55789 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PTPN7 P35236 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 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
SCHEMBL6481645 0.84 PKM (0.82) ALDH1A1PKMPOLBCYP1A2L3MBTL1
Hydrochloric Acid SCHEMBL9621152 0.83 PKM (0.80) ALDH1A1PKMPOLBCYP1A2L3MBTL1
Tritiozine SCHEMBL1170764 0.80 MAPT (1.00) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL8937444 0.79 PKM (0.74) ALDH1A1MEN1KMT2APKMPOLB
SCHEMBL7433455 0.75 KMT2A (0.59) ALDH1A1MEN1KMT2APKMPOLB
SCHEMBL10866965 0.74 PKM (0.54) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL11355371 0.74 POLB (0.59) MAPTPKMHPGDPOLBL3MBTL1
SCHEMBL335755 0.74 ADRB1 (0.62)
SCHEMBL6374018 0.73 ALDH1A1 (0.80) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL6374013 0.73 ALDH1A1 (0.80) ALDH1A1MEN1KMT2AMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559109-A Method of treating a PAF-mediated pathology or for treating or preventing psoriasis, nephritis, asthma or shock by administering a PAF antagonist SANKKO COMPANY, LIMITED (JP) 1996-09-24 US disclosed
US-5556852-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0395446-B1 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists SANKYO CO (JP) 1995-03-01 EP disclosed
US-5369106-A N-acryloylpiperazine derivatives, their preparation and their use of PAF antagonists SANKYO COMPANY, LIMITED (JP) 1994-11-29 US disclosed
US-5192766-A Platelet activating factor antagonist SANKYO COMPANY, LIMITED (JP) 1993-03-09 US disclosed
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
EP-0395446-A2 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists Sankyo Company Limited (JP) 1990-10-31 EP disclosed
US-4937246-A ABSORBED EASILY FROM INTESTINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-06-26 US disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
EP-0318235-A2 PAF antagonist, 1,4-disubstituted piperazine compounds and production thereof Takeda Chemical Industries, Ltd. (JP) 1989-05-31 EP disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed