SCHEMBL7769614

SCHEMBL7769614

N=C(NCc1cccnc1)N[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
LMNA P02545 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
RECQL P46063 1/20 0.54
NAMPT P43490 1/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
POLB P06746 1/20 0.49
FES P07332 1/20 0.49
RET P07949 1/20 0.49
MARK3 P27448 1/20 0.49
TYK2 P29597 1/20 0.49
FLT4 P35916 1/20 0.49
SYK P43405 1/20 0.49

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
SCHEMBL1817029 0.82 ALDH1A1 (0.45) LMNAMAPTALDH1A1POLB
SCHEMBL10753424 0.77 ALDH1A1 (0.67) HTTRECQLMAPTALDH1A1USP2
SCHEMBL14289021 0.77 ALDH1A1 (0.60) HTTRECQLMAPTALDH1A1USP2
SCHEMBL7795446 0.76 CHRNB2 (0.44) NAMPTMAPTALDH1A1SMN1; SMN2
SCHEMBL13584673 0.76 KEAP1 (0.59) HTTLMNARECQLNAMPTMAPT
SCHEMBL30165326 0.76 KEAP1 (0.59) HTTLMNARECQLNAMPTMAPT
Hydrochloric Acid SCHEMBL11333270 0.76 ALDH1A1 (0.65) HTTRECQLMAPTALDH1A1USP2
SCHEMBL7671900 0.75 HTT (0.55) HTTLMNANFKB1NFKB2RELA
SCHEMBL10649915 0.75 ALOX15 (0.46) LMNANFKB1MAPTALDH1A1PKM
Hydrochloric Acid SCHEMBL13583573 0.75 KEAP1 (0.57) HTTLMNARECQLNAMPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665222-B1 Guanidine derivatives, their production and insecticides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-06-20 EP disclosed
CN-1060615-C Guanidine derivatives, their production and insecticides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-01-17 CN disclosed
US-5633375-A NONTOXIC TO HUMNAS, ANIMALS, FISH TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-27 US disclosed
US-5489603-A CONTAINING NITROGEN HETEROCYCLIC RINGS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-06 US disclosed
EP-0493369-B1 Guanidine derivatives, their production and insecticides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-11-08 EP disclosed
EP-0665222-A1 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1995-08-02 EP disclosed
EP-0376279-B1 GUANIDINE DERIVATIVES, THEIR PRODUCTION AND INSECTICIDES Takeda Chemical Industries, Ltd. (JP) 1993-05-19 EP disclosed
EP-0493369-A1 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1992-07-01 EP disclosed
US-5034404-A Nitroguanidines as insecticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-07-23 US disclosed
EP-0376279-A2 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1990-07-04 EP disclosed