SCHEMBL466008

SCHEMBL466008

N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.66
TXNRD3 Q86VQ6 1/20 0.66
TXNRD2 Q9NNW7 1/20 0.66
TDP1 Q9NUW8 2/20 0.55
MAPT P10636 8/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
GPR35 Q9HC97 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
MGLL Q99685 4/20 0.47
HTT P42858 3/20 0.47
FAAH O00519 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.46

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
SCHEMBL29350780 1.00 TXNRD1 (0.66) TXNRD1TXNRD3TXNRD2TDP1MAPT
SCHEMBL28121409 0.98 TXNRD1 (0.64) TXNRD1TXNRD3TXNRD2TDP1MAPT
SCHEMBL28317675 0.86 TXNRD1 (0.51) TXNRD1TXNRD3TXNRD2TDP1MAPT
Dinitro Cresol SCHEMBL11218705 0.85 ALDH1A1 (0.62) TXNRD1TXNRD3TXNRD2TDP1MAPT
SCHEMBL3407384 0.81 TDP1 (0.58) TXNRD1TXNRD3TXNRD2TDP1MAPT
SCHEMBL11449001 0.80 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2TDP1MAPT
SCHEMBL1032814 0.80 TXNRD1 (1.00) TXNRD1TXNRD3TXNRD2TDP1MAPT
SCHEMBL30128616 0.80 TXNRD1 (0.78) TXNRD1TXNRD3TXNRD2TDP1MAPT
SCHEMBL6161726 0.80 TXNRD1 (0.78) TXNRD1TXNRD3TXNRD2TDP1MAPT
SCHEMBL11673035 0.79 TDP1 (0.55) TXNRD1TXNRD3TXNRD2TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436421-B1 Pesticide compositions ?ROHM AND HAAS COMPANY 2002-08-20 US claimed
US-6090399-A POROUS MATRIX ROHM AND HAAS COMPANY (US) 2000-07-18 US claimed
EP-0922386-A2 Controlled release compositions ROHM AND HAAS COMPANY (US) 1999-06-16 EP claimed
EP-0010107-B1 REPELLENT AGAINST AQUATIC ORGANISMS IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1983-04-13 EP claimed
EP-0010107-A1 REPELLENT AGAINST AQUATIC ORGANISMS IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1980-04-30 EP claimed
JP-54098322-A None JP disclosed
US-10870885-B2 Dendritic cell response gene expression, compositions of matters and methods of use thereof THE BROAD INSTITUTE, INC. (US) 2020-12-22 US disclosed
CN-106432023-A Synthetic method of drug intermediate, namely thiocyanic acid-2,4-dinitrophenyl ester 厦门市凯尔利信息科技有限公司 2017-02-22 CN disclosed
CN-106432023-A Synthetic method of drug intermediate, namely thiocyanic acid-2,4-dinitrophenyl ester 厦门市凯尔利信息科技有限公司 2017-02-22 CN disclosed
CN-105566186-A Drug intermediates thiocyanate-2, 4-dinitrophenyl ester synthetic method CHENGDU QIESITE TECH CO LTD 2016-05-11 CN disclosed
CN-105566186-A Drug intermediates thiocyanate-2, 4-dinitrophenyl ester synthetic method CHENGDU QIESITE TECH CO LTD 2016-05-11 CN disclosed
EP-2971116-A1 DENDRITIC CELL RESPONSE GENE EXPRESSION, COMPOSITIONS OF MATTERS AND METHODS OF USE THEREOF The Broad Institute, Inc. (US) 2016-01-20 EP disclosed
US-4118461-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-10-03 US disclosed
US-4115578-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-09-19 US disclosed
US-4105762-A Metal salt complexes of 1-substituted aralkyl imidazoles, and methods and compositions for controlling phytopathogenic fungi using them ROHM AND HAAS COMPANY (US) 1978-08-08 US disclosed
US-4085209-A PLANT FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-04-18 US disclosed
US-4079146-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-03-14 US disclosed
US-4073921-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-02-14 US disclosed
US-3980798-A Dichloromaleic imides for fungicidal composition and method CIBA-GEIGY CORPORATION (US) 1976-09-14 US disclosed
US-3932509-A FUNGICIDES, VIRICIDES CIBA-GEIGY CORPORATION (US) 1976-01-13 US disclosed