SCHEMBL7665299

SCHEMBL7665299

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
NAMPT P43490 1/20 0.47
RIPK1 Q13546 1/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
NR1D1 P20393 2/20 0.42
NR1H3 Q13133 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 3/20 0.41
HTR2C P28335 1/20 0.41
KMT2A Q03164 1/20 0.39
GRM2 Q14416 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ADAM17 P78536 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
SCHEMBL8066296 0.80 ALDH1A1 (0.39) LMNACHRNB2CHRNA4SMN1; SMN2NR1D1
SCHEMBL8701639 0.79 ALDH1A1 (0.40) CHRNB2CHRNA4SMN1; SMN2ALDH1A1KMT2A
SCHEMBL9718704 0.78 RIPK1 (0.47) LMNANAMPTRIPK1CHRNB2CHRNA4
SCHEMBL7669212 0.78 RIPK1 (0.47) LMNANAMPTRIPK1CHRNB2CHRNA4
SCHEMBL27717225 0.74 RIPK1 (0.49) LMNANAMPTRIPK1CHRNB2CHRNA4
SCHEMBL8560242 0.74 RIPK1 (0.46) LMNANAMPTRIPK1CHRNB2CHRNA4
SCHEMBL7660006 0.74 LMNA (0.47) LMNANAMPTRIPK1CHRNB2CHRNA4
SCHEMBL7686987 0.73 RIPK1 (0.48) LMNANAMPTRIPK1CHRNB2CHRNA4
SCHEMBL9800159 0.72 RIPK1 (0.47) LMNANAMPTRIPK1CHRNB2CHRNA4
SCHEMBL9843140 0.72 RIPK1 (0.47) LMNANAMPTRIPK1CHRNB2CHRNA4

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 8 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
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
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed