SCHEMBL1276512

SCHEMBL1276512

O=c1[nH]c2ccccc2c(I)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.69
ALDH1A1 P00352 8/20 0.69
MAPT P10636 4/20 0.69
IDE P14735 1/20 0.69
MPI P34949 1/20 0.69
CACNA1B Q00975 1/20 0.69
APBA1 Q02410 1/20 0.69
DAO P14920 1/20 0.62
DDO Q99489 1/20 0.62
GRIN2D O15399 2/20 0.54
GRIN3B O60391 2/20 0.54
GRIN1 Q05586 2/20 0.54
GRIN2A Q12879 2/20 0.54
GRIN2B Q13224 2/20 0.54
GRIN2C Q14957 2/20 0.54
GRIN3A Q8TCU5 2/20 0.54
HSD17B10 Q99714 2/20 0.53
PARP1 P09874 2/20 0.53
MEN1 O00255 1/20 0.53
TNKS O95271 1/20 0.53

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
SCHEMBL1884123 0.82 KDM4E (1.00) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL15690621 0.78 KDM4E (0.71) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL11229455 0.77 KDM4E (0.69) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL31175987 0.77 KDM4E (0.53) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL3360017 0.77 DAO (1.00) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL17942038 0.77 KDM4E (0.69) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL29314622 0.77 DAO (0.58) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL23350310 0.76 KDM4E (0.52) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL5027261 0.76 KDM4E (0.47) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL9390003 0.76 KDM4E (0.67) KDM4EALDH1A1MAPTIDEMPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279736-A1 Microbicidal and antiparasitic compositions comprising quassinoids or quassionid-containing plant extracts Life Science Investments Ltd. (GB) 2011-02-02 EP claimed
US-8865235-B2 Microbicidal and antiparasitic compositions Life Science Investments, Ltd. (GB) 2014-10-21 US disclosed
US-20140005259-A1 MICROBICIDAL AND ANTIPARASITIC COMPOSITIONS LIFE SCIENCE INVESTMENTS LIMITED (GB) 2014-01-02 US disclosed
US-8568794-B2 Topical and intravaginal microbicidal and antiparasitic compositions comprising quassinoids or quassinoid-containing plant extracts Life Science Investments, Ltd. (GB) 2013-10-29 US disclosed
EP-2279736-A1 Microbicidal and antiparasitic compositions comprising quassinoids or quassionid-containing plant extracts Life Science Investments Ltd. (GB) 2011-02-02 EP disclosed
US-20080089958-A1 Dermo-cosmetic compositions for topical and intravaginal application for treatment of human and veterinary affections caused by anaerobic organisms; vaginitis LIFE SCIENCE INVESTMENTS LIMITED (GB) 2008-04-17 US disclosed
EP-1758576-A1 TOPICAL AND INTRAVAGINAL MICROBICIDAL AND ANTIPARASITIC COMPOSITIONS COMPRISING QUASSINOIDS OR QUASSIONID-CONTAINING PLANT EXTRACTS Diehl, Christian (ES) 2007-03-07 EP disclosed
WO-2005092329-A1 TOPICAL AND INTRAVAGINAL MICROBICIDAL ANTIPARASITIC COMPOSITIONS COMPRISING QUASSINOIDS OR QUASSINOID-CONTAINING PLANT EXTRACTS DIEHL CHRISTIAN (AR) 2005-10-06 WO disclosed