SCHEMBL295315

SCHEMBL295315

O=C=Nc1ccc(C(c2ccccc2)c2ccc(N=C=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
TSHR P16473 1/20 0.47
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRPA1 O75762 1/20 0.37
MIF P14174 3/20 0.37
CYP2D6 P10635 1/20 0.37
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36
CYP1A2 P05177 1/20 0.35
SRC P12931 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL93536 0.91 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL11452983 0.89 CYP3A4 (0.39) CYP3A4TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL6559011 0.85 CYP3A4 (0.48) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL6764690 0.85 CYP3A4 (0.48) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL16593796 0.85 MAPK1 (0.43) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL28464182 0.84 CYP3A4 (0.44) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL15362533 0.84 CYP3A4 (0.35) CYP3A4TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL10433500 0.82 CYP3A4 (0.47) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL108923 0.82 CYP3A4 (0.42) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL4139131 0.82 CYP3A4 (0.46) CYP3A4TSHRMAPK1TDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112004853-B Aqueous composition containing uretdione groups and process for preparing the same 科思创知识产权两合公司 2023-07-28 CN claimed
CN-112041367-B Aqueous composition containing uretdione groups and process for preparing the same 科思创知识产权两合公司 2023-05-16 CN claimed
US-20210024680-A1 AQUEOUS URETDIONE GROUP-CONTAINING COMPOSITIONS AND METHOD FOR PRODUCING SAME COVESTRO DEUTSCHLAND AG (DE) 2021-01-28 US claimed
EP-3768750-A1 AQUEOUS URETDIONE GROUP-CONTAINING COMPOSITIONS AND METHOD FOR PRODUCING SAME Covestro Intellectual Property GmbH & Co. KG (DE) 2021-01-27 EP claimed
EP-3768749-A1 AQUEOUS URETDIONE GROUP-CONTAINING COMPOSITIONS AND METHOD FOR PRODUCING SAME Covestro Deutschland AG (DE) 2021-01-27 EP claimed
US-20210017323-A1 AQUEOUS URETDIONE GROUP-CONTAINING COMPOSITIONS AND METHOD FOR PRODUCING SAME COVESTRO LLC 2021-01-21 US claimed
CN-112041367-A Aqueous composition containing uretdione groups and process for its preparation 科思创知识产权两合公司 2020-12-04 CN claimed
CN-112004853-A Aqueous composition containing uretdione groups and process for its preparation 科思创知识产权两合公司 2020-11-27 CN claimed
CN-111886272-A Aqueous composition containing uretdione groups and process for its preparation 科思创德国股份有限公司 2020-11-03 CN claimed
WO-2019180128-A1 AQUEOUS URETDIONE GROUP-CONTAINING COMPOSITIONS AND METHOD FOR PRODUCING SAME COVESTRO DEUTSCHLAND AG (DE) 2019-09-26 WO claimed
WO-2019180127-A1 AQUEOUS URETDIONE GROUP-CONTAINING COMPOSITIONS AND METHOD FOR PRODUCING SAME COVESTRO DEUTSCHLAND AG (DE) 2019-09-26 WO claimed
EP-3543271-A1 COMPOSITIONS CONTAINING URETDIONE GROUPS AND METHOD FOR THEIR PREPARATION Covestro Deutschland AG (DE) 2019-09-25 EP claimed
US-20130313968-A1 EL ELEMENTS CONTAINING A PIGMENT LAYER COMPRISING CROSSLINKING SYSTEMS WITH BLOCKED ISOCYANATE GROUPS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-28 US claimed
EP-2644007-A1 EL ELEMENTS CONTAINING A PIGMENT LAYER COMPRISING CROSSLINKING SYSTEMS WITH BLOCKED ISOCYANATE GROUPS Bayer MaterialScience AG (DE) 2013-10-02 EP claimed
WO-2012069411-A1 EL ELEMENTS CONTAINING A PIGMENT LAYER COMPRISING CROSSLINKING SYSTEMS WITH BLOCKED ISOCYANATE GROUPS BAYER MATERIALSCIENCE AG (DE) 2012-05-31 WO claimed
US-20070032594-A1 Self-crosslinking polyurethane dispersions containing uretdione and isocyanate-reactive groups BAYER MATERIALSCIENCE AG 2007-02-08 US claimed
CN-112004853-B Aqueous composition containing uretdione groups and process for preparing the same 科思创知识产权两合公司 2023-07-28 CN disclosed
CN-112041367-B Aqueous composition containing uretdione groups and process for preparing the same 科思创知识产权两合公司 2023-05-16 CN disclosed
US-4129678-A POLYIMIDE, POLYAMIDEIMIDE OR POLYESTERIMIDE LAYER AND POLYVINYL FORMAL OR EPOXY RESIN LAYER HITACHI, LTD. (JP) 1978-12-12 US disclosed
US-4099376-A AMMONIUM PERCHLORATE THE B.F. GOODRICH COMPANY (US) 1978-07-11 US disclosed