SCHEMBL7768113

SCHEMBL7768113

CS/C(=N\C#N)N(C)Cc1ccc(Cl)nc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
MEN1 O00255 1/20 0.36
CHRNA7 P36544 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
AR P10275 1/20 0.35
AGTR2 P50052 1/20 0.35
DGAT1 O75907 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7768115 1.00 CHRNB2 (0.37) CHRNB2CHRNA4MEN1CHRNA7KMT2A
SCHEMBL7767874 0.85 CHRNB2 (0.36) CHRNB2CHRNA4MEN1CHRNA7KMT2A
SCHEMBL7767876 0.85 CHRNB2 (0.36) CHRNB2CHRNA4MEN1CHRNA7KMT2A
SCHEMBL3672651 0.84 CHRNB2 (0.38) CHRNB2CHRNA4MEN1CHRNA7KMT2A
SCHEMBL7636278 0.84 CHRNB2 (0.40) CHRNB2CHRNA4MEN1CHRNA7KMT2A
SCHEMBL7669094 0.84 ALDH1A1 (0.39) ALDH1A1AGTR2DGAT1LMNA
SCHEMBL7662056 0.84 ALDH1A1 (0.39) ALDH1A1AGTR2DGAT1LMNA
Acetamiprid SCHEMBL26296 0.83 ALDH1A1 (0.41) CHRNB2CHRNA4MEN1CHRNA7KMT2A
Acetamiprid SCHEMBL29352485 0.83 ALDH1A1 (0.41) CHRNB2CHRNA4MEN1CHRNA7KMT2A
Acetamiprid SCHEMBL13448458 0.83 ALDH1A1 (0.41) CHRNB2CHRNA4MEN1CHRNA7KMT2A

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 7 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
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-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