SCHEMBL7659981

SCHEMBL7659981

CCNC(=C[N+](=O)[O-])NCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 14)

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
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7659976 1.00 HTT (0.50) HTTPKMKMT2ALMNANFKB1
SCHEMBL7671900 0.93 HTT (0.55) HTTPKMLMNANFKB1NFKB2
SCHEMBL7669197 0.88 HTT (0.51) HTTPKMKMT2ALMNANFKB1
SCHEMBL7669203 0.88 HTT (0.51) HTTPKMKMT2ALMNANFKB1
SCHEMBL7660037 0.88 FES (0.50) HTTPKMKMT2ALMNANFKB1
SCHEMBL7660034 0.88 FES (0.50) HTTPKMKMT2ALMNANFKB1
SCHEMBL7667212 0.88 LMNA (0.51) HTTPKMKMT2ALMNANFKB1
SCHEMBL7663800 0.88 HTT (0.48) HTTPKMKMT2ALMNANFKB1
SCHEMBL7667215 0.88 LMNA (0.51) HTTPKMKMT2ALMNANFKB1
SCHEMBL7670439 0.87 FES (0.52) HTTPKMKMT2ALMNANFKB1

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