SCHEMBL560087

SCHEMBL560087

Cc1ccc(-c2ccc(Cl)cc2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
AHR P35869 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ESR2 Q92731 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BACE1 P56817 1/20 0.35
HDAC2 Q92769 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL14092680 0.86 ALDH1A1 (0.48) CYP3A4ALDH1A1TSHRTDP1NPC1
SCHEMBL3032475 0.83 ALOX5 (0.43) ALOX5AHRCYP1A2CYP3A4ALDH1A1
SCHEMBL30118252 0.81
SCHEMBL189010 0.81
SCHEMBL15197445 0.80 CRHBP (0.50) ALOX5CYP3A4ALDH1A1TSHRTDP1
SCHEMBL30919587 0.80 CRHBP (0.50) ALOX5CYP3A4ALDH1A1TSHRTDP1
SCHEMBL14394868 0.80 CRHBP (0.50) ALOX5CYP3A4ALDH1A1TSHRTDP1
SCHEMBL11808445 0.80 SHBG (0.39) NPC1RAB9APTGS1PTGS2L3MBTL1
SCHEMBL5047034 0.79 ALOX5 (0.48) ALOX5AHRCYP1A2CYP3A4ALDH1A1
SCHEMBL3617076 0.79 NPC1 (0.56) CYP1A2ALDH1A1TSHRCYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905215-B Process for preparing 1-H-pyrrolidine-2, 4-dione derivatives 拜耳知识产权有限责任公司 2021-10-01 CN disclosed
EP-3372580-B1 METHOD FOR THE PREPARATION OF 1-H-PYRROLIDIN-2,4-DIONE-DERIVATIVES BAYER CROPSCIENCE AG (DE) 2020-07-22 EP disclosed
EP-3372580-A1 METHOD FOR THE PREPARATION OF 1-H-PYRROLIDIN-2,4-DIONE-DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2018-09-12 EP disclosed
EP-2668158-B1 METHOD FOR PRODUCING 1-H-PYRROLIDINE-2,4-DIONE DERIVATIVES BAYER IP GMBH (DE) 2018-06-27 EP disclosed
EP-2155645-B1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LTD (GB) 2017-06-14 EP disclosed
EP-2155645-B1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LTD (GB) 2017-06-14 EP disclosed
EP-2173755-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2017-05-17 EP disclosed
EP-2173755-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2017-05-17 EP disclosed
US-9272997-B2 Process for the preparation of 1-H-pyrrolidine-2,4-dione derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-9006429-B2 Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives SYNGENTA CROP PROTECTION, LLC (US) 2015-04-14 US disclosed
EP-2121584-A2 NOVEL HERBICIDES Syngeta Participations AG (CH) 2009-11-25 EP disclosed
EP-2102181-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES Syngeta Participations AG (CH) 2009-09-23 EP disclosed
WO-2009019015-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-12 WO disclosed
WO-2009019015-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-12 WO disclosed
WO-2008145336-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LIMITED (GB) 2008-12-04 WO disclosed
WO-2008145336-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LIMITED (GB) 2008-12-04 WO disclosed
WO-2008110307-A1 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3-DIONE COMPOUNDS AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed
WO-2008110308-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed
WO-2008071405-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-06-19 WO disclosed
WO-2008071405-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-06-19 WO disclosed