SCHEMBL7668595

SCHEMBL7668595

CNC(=C[N+](=O)[O-])N(C)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
VCP P55072 1/20 0.39
NOTUM Q6P988 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
POLQ O75417 1/20 0.35
TLR4 O00206 1/20 0.34
TLR2 O60603 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PYGL P06737 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7669287 0.81 SMN1; SMN2 (0.33) GAAL3MBTL1MAPTALDH1A1KDM4E
SCHEMBL27309788 0.81 VCP (0.41) GAAHPGDVCPNOTUMTRPV1
SCHEMBL8699461 0.79 TRPV1 (0.38) GAAHPGDVCPTRPV1LMNA
SCHEMBL9718704 0.78 RIPK1 (0.47) GAAHPGDMAPTALDH1A1KDM4E
SCHEMBL7669212 0.78 RIPK1 (0.47) GAAHPGDMAPTALDH1A1KDM4E
SCHEMBL7752451 0.77 ALDH1A1 (0.34) L3MBTL1MAPTALDH1A1LMNAHTT
SCHEMBL27309786 0.77 RAD52 (0.31) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL7658017 0.77 ALDH1A1 (0.34) L3MBTL1MAPTALDH1A1LMNAHTT
SCHEMBL9044470 0.77 RAD52 (0.31) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL7683120 0.77 KCNA5 (0.42) MAPTALDH1A1LMNAKMT2AKCNA5

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 11 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
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed