SCHEMBL813536

SCHEMBL813536

O=C(OCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
ATM Q13315 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
MAPT P10636 4/20 0.60
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 1/20 0.60
ALOX5 P09917 1/20 0.59
CES1 P23141 1/20 0.59
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
ADRB2 P07550 2/20 0.56
ADRB1 P08588 2/20 0.56
ADRB3 P13945 2/20 0.56
KCNJ1 P48048 1/20 0.56
KCNH2 Q12809 1/20 0.56
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
GSK3B P49841 1/20 0.55

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
SCHEMBL9420548 0.95 KMT2A (0.66) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL9420555 0.95 KMT2A (0.66) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL9420481 0.95 KMT2A (0.66) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL11309248 0.93 MEN1 (0.68) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL7074293 0.93 MEN1 (0.68) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL32684923 0.92 MEN1 (0.62) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL28905348 0.92 MAPT (0.67) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL2879966 0.91 MEN1 (0.66) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL9420687 0.91 KMT2A (0.66) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL7221510 0.90 ATM (0.65) KMT2AMEN1ATML3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964454-A Novel styrene product polymerization inhibitor adding method 青岛海湾化学股份有限公司 2024-05-03 CN claimed
CN-117964454-A Novel styrene product polymerization inhibitor adding method 青岛海湾化学股份有限公司 2024-05-03 CN disclosed
US-20180067361-A1 LIQUID CRYSTAL DISPLAY DEVICE SHARP KABUSHIKI KAISHA 2018-03-08 US disclosed
US-20180067361-A1 LIQUID CRYSTAL DISPLAY DEVICE SHARP KABUSHIKI KAISHA 2018-03-08 US disclosed
US-8470954-B2 Diisocyanate terminated macromer and formulation thereof for use as an internal adhesive or sealant ETHICON, INC. (US) 2013-06-25 US disclosed
US-7968668-B2 Diisocyanate terminated macromer and formulation thereof for use as an internal adhesive or sealant ETHICON INC. (US) 2011-06-28 US disclosed
US-7728097-B2 Method of making a diisocyanate terminated macromer ETHICON, INC. (US) 2010-06-01 US disclosed
US-20070276121-A1 DIISOCYANATE TERMINATED MACROMER AND FORMULATION THEREOF FOR USE AS AN INTERNAL ADHESIVE OR SEALANT ETHICON, INC. 2007-11-29 US disclosed
US-20070167617-A1 Method of making a diisocyanate terminated macromer ETHICON, INC. 2007-07-19 US disclosed
EP-0328585-B1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH INC (US) 1994-09-07 EP disclosed
EP-0328585-A4 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES 1991-06-05 EP disclosed
EP-0328585-A1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH INC. (US) 1989-08-23 EP disclosed
EP-0032547-B2 POLYISOCYANATE POLYADDITION POLYMERS AND A PROCESS FOR THEIR PREPARATION POLAROID CORPORATION (US) 1989-07-26 EP disclosed
US-4829099-A SURGERY, POLYISOCYANATES, POLYISOTHIOCYANATES BIORESEARCH, INC. (US) 1989-05-09 US disclosed
WO-1989000589-A1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH, INC. (US) 1989-01-26 WO disclosed
EP-0032547-B1 POLYISOCYANATE POLYADDITION POLYMERS AND A PROCESS FOR THEIR PREPARATION POLAROID CORPORATION (US) 1985-02-06 EP disclosed
US-4328322-A POLYUREA COPOLYMERS USING DIAMINO-SUBSTITUTED CARBO CARBOXYLIC ACID OR AMIDE-MODIFIED POLYETHERS OR POLYAMINES; CASTINGS; FOAMS POLAROID CORPORATION (US) 1982-05-04 US disclosed
EP-0032547-A2 Polyisocyanate polyaddition polymers and a process for their preparation POLAROID CORPORATION (US) 1981-07-29 EP disclosed
US-4246392-A Method for the preparation of polyurethane elastomers based on polyethyleneglycol-bis(4-aminobenzoates) IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-01-20 US disclosed
US-3932360-A Polyurethane elastomers prepared from diamine curing agents POLAROID CORPORATION (US) 1976-01-13 US disclosed