SCHEMBL11024196

SCHEMBL11024196

O=C(CCl)OCCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
PKM P14618 1/20 0.50
LMNA P02545 3/20 0.49
EPHX2 P34913 2/20 0.47
ALDH1A1 P00352 3/20 0.47
HRH3 Q9Y5N1 5/20 0.46
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
SCN1A P35498 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN2A Q99250 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SCN3A Q9NY46 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL11026647 0.90 ALDH1A1 (0.56) KDM4EGAALMNAALDH1A1KMT2A
SCHEMBL11023279 0.84 CYP2D6 (0.49) KDM4EGAAALDH1A1HRH3MAPK1
SCHEMBL25475311 0.83 KDM4E (0.50) KDM4EGAAPKMLMNAEPHX2
SCHEMBL13265466 0.83 HRH3 (0.54) KDM4EGAAPKMLMNAEPHX2
SCHEMBL561431 0.83 SMN1; SMN2 (0.52) KDM4EGAAPKMLMNAEPHX2
SCHEMBL11023682 0.83 CYP2D6 (0.51) KDM4EALDH1A1HRH3MAPK1CYP1A2
SCHEMBL8560963 0.83 KDM4E (0.52) KDM4EGAAPKMLMNAEPHX2
SCHEMBL11025698 0.81 HRH3 (0.47) KDM4ELMNAALDH1A1HRH3MAPK1
SCHEMBL16845053 0.81 KDM4E (0.54) KDM4EGAAPKMLMNAEPHX2
SCHEMBL25475255 0.81 ALDH1A1 (0.49) KDM4EGAAPKMLMNAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0040793-B1 NOVEL QUINAZOLINE-DIONE COMPOUNDS, PROCESS FOR PRODUCTION THEREOF AND PHARMACEUTICAL USE THEREOF Ishikawa, Masayuki (JP) 1985-08-28 EP disclosed
US-4405623-A HYPOTENSIVE AGENTS, VASODILATORS MASAYUKI ISHIKAWA (JP) 1983-09-20 US disclosed
EP-0040793-A1 Novel quinazoline-dione compounds, process for production thereof and pharmaceutical use thereof Ishikawa, Masayuki (JP) 1981-12-02 EP disclosed