SCHEMBL8867161

SCHEMBL8867161

CC(=O)NC(=NCc1ccc(Cl)nc1)N[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CASP6 P55212 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
CHRNA1 P02708 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL7036880 0.79 CHRNB2 (0.42) ALDH1A1CHRNB2CHRNA4MEN1KMT2A
SCHEMBL2958531 0.78 CHRNB2 (0.41) ALDH1A1CHRNB2CHRNA4NPC1RAB9A
SCHEMBL2958535 0.78 CHRNB2 (0.41) ALDH1A1CHRNB2CHRNA4NPC1RAB9A
SCHEMBL8801770 0.77 L3MBTL1 (0.39) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8867156 0.76 ALDH1A1 (0.42) ALDH1A1CHRNB2CHRNA4MEN1KMT2A
SCHEMBL8867144 0.76 ALDH1A1 (0.42) ALDH1A1CHRNB2CHRNA4MEN1KMT2A
SCHEMBL9727921 0.74 CHRNB2 (0.42) ALDH1A1CHRNB2CHRNA4MEN1KMT2A
SCHEMBL9843035 0.70 CHRNB2 (0.37) ALDH1A1CHRNB2CHRNA4MEN1KMT2A
SCHEMBL8191142 0.70 ALDH1A1 (0.40) ALDH1A1CHRNB2CHRNA4MEN1KMT2A
SCHEMBL8803706 0.69 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AATMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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