SCHEMBL7686987

SCHEMBL7686987

CCNC(=C[N+](=O)[O-])N(C)Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.48
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
LMNA P02545 2/20 0.44
NAMPT P43490 2/20 0.43
PKM P14618 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.41
HTT P42858 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ADAM17 P78536 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR1D1 P20393 1/20 0.39
NR1H3 Q13133 1/20 0.39

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
SCHEMBL9800116 0.89 RIPK1 (0.45) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL7669071 0.89 RIPK1 (0.45) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL7660006 0.88 LMNA (0.47) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL9718704 0.88 RIPK1 (0.47) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL7669212 0.88 RIPK1 (0.47) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL7669261 0.87 NAMPT (0.43) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL8560242 0.87 RIPK1 (0.46) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL8404147 0.86 NAMPT (0.48) LMNANAMPTPKMKMT2AHTT
SCHEMBL7671696 0.85 MAPT (0.45) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL7669180 0.85 LMNA (0.48) RIPK1CHRNB2CHRNA4LMNANAMPT

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
US-6407248-B1 INSECTICIDES, MITICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-18 US disclosed
US-6124297-A COMBATTING INSECTS OR MITES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US disclosed
EP-0529680-B1 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-05-13 EP disclosed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP disclosed
US-5214152-A Insecticides, miticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-05-25 US disclosed
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed