SCHEMBL168448

SCHEMBL168448

CC=CC(=O)Oc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
POLB P06746 1/20 0.47
GPR35 Q9HC97 2/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
AR P10275 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TTR P02766 1/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL168447 1.00 RAB9A (0.47) RAB9APOLBGPR35TSHRMEN1
SCHEMBL29124763 0.94 GPR35 (0.57) RAB9APOLBGPR35TSHRMEN1
SCHEMBL28613448 0.92 MEN1 (0.42) RAB9APOLBGPR35TSHRMEN1
SCHEMBL11973532 0.87 RAB9A (0.53) RAB9APOLBMEN1KMT2AALDH1A1
SCHEMBL11973525 0.87 RAB9A (0.53) RAB9APOLBMEN1KMT2AALDH1A1
SCHEMBL28459459 0.86 TDP1 (0.50) RAB9APOLBTSHRMEN1KMT2A
SCHEMBL7548864 0.82 GPR35 (0.47) RAB9APOLBGPR35TSHRMEN1
SCHEMBL14965454 0.82 MEN1 (0.49) RAB9APOLBGPR35TSHRMEN1
SCHEMBL14965456 0.82 MEN1 (0.49) RAB9APOLBGPR35TSHRMEN1
SCHEMBL17005575 0.80 TSHR (0.51) RAB9APOLBGPR35TSHRMEN1

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 839 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023205458-A2 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-26 WO claimed
CN-115530175-A Agrochemical combinations UPL有限公司 2022-12-30 CN claimed
CN-114081037-A Fungicidal combinations UPL有限公司 2022-02-25 CN claimed
US-11083192-B2 Fertilizer and agrochemical formulation MITSUI CHEMICALS AGRO, INC. (JP) 2021-08-10 US claimed
EP-3772961-A1 FUNGICIDAL COMBINATIONS UPL Ltd (IN) 2021-02-17 EP claimed
CN-112040775-A Fungicidal combinations UPL有限公司 2020-12-04 CN claimed
CN-111988995-A Fungicidal combinations UPL有限公司 2020-11-24 CN claimed
CN-111683531-A Novel agrochemical combinations UPL有限公司 2020-09-18 CN claimed
US-20190320651-A1 FERTILIZER AND AGROCHEMICAL FORMULATION MITSUI CHEMICALS AGRO, INC. (JP) 2019-10-24 US claimed
WO-2019186356-A1 FUNGICIDAL COMBINATIONS UPL LTD (IN) 2019-10-03 WO claimed
US-10375951-B2 Fertilizer and agrochemical formulation MITSUI CHEMICALS AGRO, INC. (JP) 2019-08-13 US claimed
WO-2019077460-A1 NOVEL AGROCHEMICAL COMBINATIONS UPL LTD (IN) 2019-04-25 WO claimed
US-20180139954-A1 FERTILIZER AND AGROCHEMICAL FORMULATION MITSUI CHEMICALS AGRO, INC. (JP) 2018-05-24 US claimed
CN-107787183-A Fertilizer and agrochemical formulations 三井化学AGRO株式会社 2018-03-09 CN claimed
WO-2016170784-A1 FERTILIZER AND AGROCHEMICAL FORMULATION MITSUI CHEMICALS AGRO, INC. (JP) 2016-10-27 WO claimed
WO-2016131133-A1 COMPOSITION OF PERACETIC ACID AND AT LEAST ONE ORGANIC FUNGICIDE FOR THE CONTROL OF PATHOGENS IN AND ONTO GROWING PLANTS AGRI-NEO INC. (CA) 2016-08-25 WO claimed
CN-101636073-A The seed of bag quilt and manufacturing bag are by the method for seed VAMTECH L L C 2010-01-27 CN claimed
EP-2117289-A2 COATED SEEDS AND METHODS OF MAKING COATED SEEDS Vamtech L.L.C. (US) 2009-11-18 EP claimed
US-20080207448-A1 Containing fungicide and fumgi enhancing compound such as isoflavone; plant growth regulators VAMTECH, L.L.C. (US) 2008-08-28 US claimed
WO-2008103422-A2 COATED SEEDS AND METHODS OF MAKING COATED SEEDS VAMTECH L.L.C. (US) 2008-08-28 WO claimed