SCHEMBL7664472

SCHEMBL7664472

CN(C)/C(=C\[N+](=O)[O-])NCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.50
PKM P14618 2/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAPT P10636 3/20 0.49
NAMPT P43490 1/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 1/20 0.48
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ATG4B Q9Y4P1 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL9864923 1.00 HTT (0.50) HTTPKMKMT2ALMNANFKB1
SCHEMBL7664478 1.00 HTT (0.50) HTTPKMKMT2ALMNANFKB1
SCHEMBL8405578 0.89 PKM (0.50) HTTPKMKMT2ALMNANFKB1
SCHEMBL8406562 0.88 HTT (0.48) HTTPKMKMT2ALMNANFKB1
SCHEMBL8404147 0.87 NAMPT (0.48) HTTPKMKMT2ALMNANFKB1
SCHEMBL9800218 0.85 FAAH (0.47) HTTPKMKMT2ALMNANFKB1
SCHEMBL9800223 0.85 FAAH (0.47) HTTPKMKMT2ALMNANFKB1
SCHEMBL7660006 0.84 LMNA (0.47) HTTPKMKMT2ALMNANFKB1
SCHEMBL7663800 0.82 HTT (0.48) HTTPKMKMT2ALMNANFKB1
SCHEMBL7671900 0.82 HTT (0.55) HTTPKMLMNANFKB1NFKB2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US claimed
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