SCHEMBL9629003

SCHEMBL9629003

O=[N+]([O-])c1ccc(Oc2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.56
HSPB1 P04792 3/20 0.51
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
ATM Q13315 1/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TBXA2R P21731 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
Nitrofen SCHEMBL38981 0.87 PDE7A (0.68) PDE7AHSPB1MEN1KMT2AGAA
Nitrofen SCHEMBL1702412 0.87 PDE7A (0.68) PDE7AHSPB1MEN1KMT2AGAA
Nitrofen SCHEMBL29364713 0.87 PDE7A (0.68) PDE7AHSPB1MEN1KMT2AGAA
Nitrofen SCHEMBL28057303 0.86 PDE7A (0.67) PDE7AHSPB1MEN1KMT2AGAA
SCHEMBL2814306 0.84 HSPB1 (0.68) PDE7AHSPB1HSD17B10MEN1KMT2A
Nitrofen SCHEMBL10584175 0.84 PDE7A (0.65) PDE7AHSPB1MEN1KMT2AGAA
SCHEMBL11683124 0.83 PDE7A (0.63) PDE7AHSPB1HSD17B10MEN1KMT2A
SCHEMBL11475236 0.83 PDE7A (0.76) PDE7AHSPB1MEN1KMT2AGAA
SCHEMBL22069746 0.83 PDE7A (0.58) PDE7AHSD17B10MEN1KMT2AGAA
SCHEMBL31448104 0.81 PDE7A (0.54) PDE7AHSPB1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257011-B1 PERMEATION MODIFIED ASYMMETRIC GAS SEPARATION MEMBRANES HAVING GRADED DENSITY SKINS PERMEA, Inc. (US) 1992-10-07 EP disclosed
EP-0215312-B1 METHOD FOR PRODUCING OF POLYARYLENE SULFIDES IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1992-03-25 EP disclosed
US-4810773-A HIGH MOLECULAR WEIGHT ENGINEERING THERMOPLASTICS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1989-03-07 US disclosed
US-4728346-A PERMSELECTIVITY PERMEA INC. (US) 1988-03-01 US disclosed
EP-0257011-A2 Permeation modified asymmetric gas separation membranes having graded density skins PERMEA, Inc. (US) 1988-02-24 EP disclosed
EP-0215312-A1 Method for producing of polyarylene sulfides IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1987-03-25 EP disclosed
US-4575385-A POLYSULFONES CONTACTED WITH BENZENE COMPOUND MONSANTO COMPANY (US) 1986-03-11 US disclosed
EP-0049398-B1 4H-3,1-BENZOXAZIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1985-03-06 EP disclosed
EP-0046503-B1 HERBICIDAL AGENTS ON THE THE BASIS OF CYCLOHEXANE-1,3-DIONE DERIVATIVES AND 3,6-DICHLORO-2-PICOLINIC-ACID DERIVATIVES BASF Aktiengesellschaft (DE) 1984-06-13 EP disclosed
EP-0028355-B1 1,2-OXAZOLYLALKYL CARBAMATES, THEIR PREPARATION, THEIR USE AS HERBICIDES, AND HERBICIDES BASF Aktiengesellschaft (DE) 1984-05-09 EP disclosed
EP-0032242-B1 4H-3,1-BENZOXAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN INHIBITING THE GROWTH OF UNWANTED PLANTS BASF Aktiengesellschaft (DE) 1983-12-14 EP disclosed
EP-0035712-B1 N-ARYL(THIOL) CARBAMATES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN COMBATING UNDESIRED PLANT GROWTH BASF Aktiengesellschaft (DE) 1983-02-16 EP disclosed
EP-0049398-A1 4H-3,1-Benzoxazin derivatives, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1982-04-14 EP disclosed
EP-0046503-A1 Herbicidal agents on the the basis of cyclohexane-1,3-dione derivatives and 3,6-dichloro-2-picolinic-acid derivatives BASF Aktiengesellschaft (DE) 1982-03-03 EP disclosed
EP-0035712-A1 N-aryl(thiol) carbamates, process for their preparation and their use in combating undesired plant growth BASF Aktiengesellschaft (DE) 1981-09-16 EP disclosed
EP-0032242-A1 4H-3,1-benzoxazine derivatives, process for their preparation and their use in inhibiting the growth of unwanted plants BASF Aktiengesellschaft (DE) 1981-07-22 EP disclosed
EP-0028355-A1 1,2-Oxazolylalkyl carbamates, their preparation, their use as herbicides, and herbicides BASF Aktiengesellschaft (DE) 1981-05-13 EP disclosed
US-4056522-A PIGMENTS HOECHST AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed
US-4056553-A INTERMEDIATES FOR MONOAZO DYES HOECHST AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed