SCHEMBL7112159

SCHEMBL7112159

COCc1c(-c2nc(OC)cc(OC)n2)ccc(C(=O)c2ccc(-c3nc(OC)cc(OC)n3)c(COC)c2[N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.32
RECQL P46063 1/20 0.32
PKM P14618 1/20 0.32
ERN1 O75460 1/20 0.32
POLB P06746 3/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TXNRD1 Q16881 2/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 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
SCHEMBL7113784 0.89 KDM4E (0.35) ALDH1A1KDM4ENPSR1GAAMAPK1
SCHEMBL27505008 0.84 RAB9A (0.34) ALDH1A1KDM4ENPSR1GAAMAPK1
SCHEMBL6661414 0.72 HPGD (0.39) ALDH1A1KDM4EMAPK1HTTPOLB
SCHEMBL7113788 0.71 ERN1 (0.41) ALDH1A1KDM4EMAPTERN1L3MBTL1
SCHEMBL10180539 0.69 ALDH1A1 (0.33) ALDH1A1KDM4ENPSR1GAAMAPK1
SCHEMBL27505009 0.67 ERN1 (0.38) ALDH1A1KDM4ENPSR1GAAMAPK1
SCHEMBL27946142 0.65 HPGD (0.47) ALDH1A1KDM4EMAPK1MAPTPOLB
SCHEMBL27866333 0.64 MAPK1 (0.33) ALDH1A1KDM4ENPSR1GAAMAPK1
SCHEMBL27545776 0.63 PKM (0.48) ALDH1A1KDM4ENPSR1HTTMAPT
SCHEMBL22524300 0.62 TXNRD1 (0.32) POLBTXNRD1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2674420-B1 METHOD FOR PRODUCING AMINOPHENYL PYRIMIDINYL ALCOHOL DERIVATIVE, AND SYNTHESIS INTERMEDIATE THEREOF IHARA CHEMICAL IND CO (JP) 2016-01-27 EP disclosed
EP-1361218-A1 Trifluoromethanesulfonyl anilide derivatives, process for the preparation of them and herbicides containing them as the active ingredient IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2003-11-12 EP disclosed
EP-1101760-B1 DIFLUOROMETHANESULFONYL ANILIDE DERIVATIVES, PROCESS FOR THE PREPARATION OF THEM AND HERBICIDES CONTAINING THEM AS THE ACTIVE INGREDIENT IHARA CHEMICAL IND CO (JP) 2003-10-15 EP disclosed
US-6458748-B1 COMPOUND WHICH IS EFFECTIVE FOR THE REMOVAL OF A WIDE VARIETY OF WEEDS INCLUDING DIFFICULT-TO-CONTROL WEEDS EMERGING IN PADDY FIELD AND WHICH IS SAFE TO MAMMALS; A PROCESS FOR PRODUCTION THEREOF; A HERBICIDE CONTAINING THE COMPOUND AS AN IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2002-10-01 US disclosed
EP-1101760-A1 DI- OR TRI-FLUOROMETHANESULFONYL ANILIDE DERIVATIVES, PROCESS FOR THE PREPARATION OF THEM AND HERBICIDES CONTAINING THEM AS THE ACTIVE INGREDIENT IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2001-05-23 EP disclosed