SCHEMBL8064684

SCHEMBL8064684

CNC(=C[N+](=O)[O-])N(C)c1ccc(OC)nc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OXTR P30559 10/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
PABPC1 P11940 3/20 0.40
POLB P06746 1/20 0.40
AVPR1A P37288 4/20 0.39
ERN1 O75460 1/20 0.37
NNMT P40261 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MAPT P10636 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
SCHEMBL27309786 0.85 RAD52 (0.31) MEN1KMT2AMAPT
SCHEMBL9044470 0.85 RAD52 (0.31) MEN1KMT2AMAPT
SCHEMBL7669287 0.83 SMN1; SMN2 (0.33) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL27315098 0.83 LIPE (0.45) KMT2AMAPT
SCHEMBL9046781 0.83 LIPE (0.45) KMT2AMAPT
SCHEMBL7658017 0.82 ALDH1A1 (0.34) MEN1KMT2AMAPT
SCHEMBL7752451 0.82 ALDH1A1 (0.34) MEN1KMT2AMAPT
SCHEMBL7662728 0.80 TAS2R14 (0.40) MEN1KMT2APABPC1POLBERN1
SCHEMBL7668595 0.75 GAA (0.40) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL7672381 0.73 OXTR (0.49) OXTRMEN1KMT2APABPC1AVPR1A

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-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