SCHEMBL7671902

SCHEMBL7671902

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.50
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
NR1D1 P20393 8/20 0.42
NR1H3 Q13133 8/20 0.42
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
RIPK1 Q13546 1/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL2574578 0.80 FBP1 (0.46) TLR4TLR2HTTCYP1A2CYP2D6
SCHEMBL2574573 0.80 FBP1 (0.46) TLR4TLR2HTTCYP1A2CYP2D6
SCHEMBL27326670 0.76 VCP (0.54) VCPCHRNB2CHRNA4TLR4TLR2
SCHEMBL10511846 0.76 KDM4E (0.46) VCPCHRNB2CHRNA4NR1D1NR1H3
SCHEMBL27717225 0.71 RIPK1 (0.49) CHRNB2CHRNA4NR1D1NR1H3RIPK1
SCHEMBL27876990 0.70 CHRNA7 (0.53) CHRNB2CHRNA4NAPRTCYP1A2CYP2D6
SCHEMBL3018840 0.70 CHRNA7 (0.52) CHRNB2CHRNA4NAPRTHTTCYP1A2
SCHEMBL9718704 0.69 RIPK1 (0.47) CHRNB2CHRNA4NR1D1NR1H3RIPK1
SCHEMBL9800154 0.69 RIPK1 (0.47) CHRNB2CHRNA4NR1D1NR1H3RIPK1
SCHEMBL9800159 0.69 RIPK1 (0.47) CHRNB2CHRNA4NR1D1NR1H3RIPK1

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 9 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-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