SCHEMBL8866545

SCHEMBL8866545

CSC(=N[N+](=O)[O-])N(C)Cc1ccc(Cl)nc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
ALDH1A1 P00352 4/20 0.37
DGAT1 O75907 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AGTR2 P50052 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CASP6 P55212 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
SCHEMBL8866534 1.00 CHRNB2 (0.39) CHRNB2CHRNA4ALDH1A1DGAT1MEN1
SCHEMBL2755020 0.86 ALDH1A1 (0.43) CHRNB2CHRNA4ALDH1A1MEN1KMT2A
SCHEMBL8926511 0.86 ALDH1A1 (0.43) CHRNB2CHRNA4ALDH1A1MEN1KMT2A
SCHEMBL8181812 0.86 CHRNB2 (0.38) CHRNB2CHRNA4ALDH1A1DGAT1MEN1
SCHEMBL8181814 0.86 CHRNB2 (0.38) CHRNB2CHRNA4ALDH1A1DGAT1MEN1
SCHEMBL8194979 0.85 ALDH1A1 (0.40) CHRNB2CHRNA4ALDH1A1DGAT1MEN1
SCHEMBL8194977 0.85 ALDH1A1 (0.40) CHRNB2CHRNA4ALDH1A1DGAT1MEN1
SCHEMBL7638475 0.82 CHRNB2 (0.43) CHRNB2CHRNA4ALDH1A1MEN1KMT2A
SCHEMBL7643543 0.82 CHRNB2 (0.40) CHRNB2CHRNA4ALDH1A1MEN1KMT2A
SCHEMBL7643537 0.82 CHRNB2 (0.40) CHRNB2CHRNA4ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1026981-C Process for the preparation of guanidine derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-12-14 CN disclosed
CN-1077843-A GUANIDINE DERIVATIVES, THEIR PRODUCTION AND INSECTICIDES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-11-03 CN 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
CN-1045261-A Guanidine derivatives, their production and pesticides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1990-09-12 CN disclosed
EP-0376279-A2 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1990-07-04 EP disclosed