SCHEMBL7660306

SCHEMBL7660306

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
LMNA P02545 2/20 0.45
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
NR1D1 P20393 6/20 0.39
NR1H3 Q13133 6/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CHRNA7 P36544 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CLK1 P49759 1/20 0.38
GRM5 P41594 1/20 0.37

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
SCHEMBL9843230 0.74 RIPK1 (0.49) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL9843140 0.72 RIPK1 (0.47) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL27717225 0.72 RIPK1 (0.49) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL5890987 0.70 LMNA (0.69) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL8057291 0.70 RIPK1 (0.64) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL9718704 0.70 RIPK1 (0.47) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL9800159 0.70 RIPK1 (0.47) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL7671954 0.70 RIPK1 (0.47) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL9800154 0.70 RIPK1 (0.47) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL7665299 0.70 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 5 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
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
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed