SCHEMBL7797402

SCHEMBL7797402

CC1(C)CON(Cc2ccccc2Br)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
CYP2A13 Q16696 1/20 0.42
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 1/20 0.36
GSK3B P49841 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
P2RX7 Q99572 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 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
SCHEMBL7615597 0.84 PTGS1 (0.45) BRD4CYP2A13CA12ALDH1A1TSHR
Clomazone SCHEMBL6280248 0.82 BRD4 (0.53) BRD4CYP2A13ALDH1A1TSHRKMT2A
SCHEMBL11194069 0.82 PIM1 (0.44) BRD4CYP2A13CA12ALDH1A1TSHR
SCHEMBL25072255 0.82 BRD4 (0.43) BRD4ALDH1A1TSHRKMT2AMEN1
Clomazone SCHEMBL21816605 0.81 BRD4 (0.52) BRD4CYP2A13ALDH1A1TSHRKMT2A
Clomazone SCHEMBL27601346 0.81 BRD4 (0.52) BRD4CYP2A13ALDH1A1TSHRKMT2A
Clomazone SCHEMBL27782874 0.81 BRD4 (0.52) BRD4CYP2A13ALDH1A1TSHRKMT2A
Clomazone SCHEMBL20723900 0.81 BRD4 (0.52) BRD4CYP2A13ALDH1A1TSHRKMT2A
SCHEMBL25072256 0.81 BRD4 (0.47) BRD4TSHRKMT2AMEN1HTT
SCHEMBL11193050 0.81 BRD4 (0.42) BRD4P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4405357-A Herbicidal 3-isoxazolidinones and hydroxamic acids FMC CORPORATION (US) 1983-09-20 US claimed
EP-1143941-A3 USE OF 3-ISOXAZOLIDINONES AND HYDROXYLAMINE ACIDS FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2002-02-06 EP disclosed
EP-1143941-A2 USE OF 3-ISOXAZOLIDINONES AND HYDROXYLAMINE ACIDS FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2001-10-17 EP disclosed
WO-2000041473-A2 USE OF 3-ISOXAZOLIDINONES AND HYDROXYLAMINE ACIDS FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2000-07-20 WO disclosed
US-5691274-A PLANT SAFTENING AGENTS FOR HERBICIDES ZENECA LIMITED (GB) 1997-11-25 US disclosed
US-5527761-A MIXTURE OF ISOXAZOLIDINONES, DICHLOROACETAMIDES, TRIAZINE, TOLUIDINE AND SULFONYLUREA HERBICIDES ZENECA LIMITED (GB) 1996-06-18 US disclosed
US-5527762-A AMIDES OF HALOALKANOIC ACIDS, INCLUDING OXAZOLIDINES AND THIOZOLIDIENS USED AS NON-PHYTOTOXIC ANTIDOTES ZENECA LIMITED (GB) 1996-06-18 US disclosed
US-5395816-A Antidoting herbicidal 3-ixoxazolidinone compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-03-07 US disclosed
EP-0561970-B1 ANTIDOTING HERBICIDAL 3-ISOXAZOLIDINONE COMPOUNDS ZENECA INC (US) 1995-01-18 EP disclosed
EP-0561970-A1 ANTIDOTING HERBICIDAL 3-ISOXAZOLIDINONE COMPOUNDS. ZENECA INC (US) 1993-09-29 EP disclosed
WO-1992010095-A1 ANTIDOTING HERBICIDAL 3-ISOXAZOLIDINONE COMPOUNDS ZENECA INC. (US) 1992-06-25 WO disclosed
US-4405357-A Herbicidal 3-isoxazolidinones and hydroxamic acids FMC CORPORATION (US) 1983-09-20 US disclosed