SCHEMBL7669287

SCHEMBL7669287

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 9/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
MITF O75030 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
RAD52 P43351 2/20 0.32
BLM P54132 1/20 0.32
LMNA P02545 5/20 0.31
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2C19 P33261 2/20 0.30
SLC22A1 O15245 1/20 0.30

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) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL7752451 0.85 ALDH1A1 (0.34) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL9044470 0.85 RAD52 (0.31) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL7658017 0.85 ALDH1A1 (0.34) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL8064684 0.83 OXTR (0.44) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL7668595 0.81 GAA (0.40) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL7662601 0.78 ALDH1A1 (0.35) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL9046781 0.77 LIPE (0.45) RAB9AMAPTALDH1A1HTTKMT2A
SCHEMBL27315098 0.77 LIPE (0.45) RAB9AMAPTALDH1A1HTTKMT2A
SCHEMBL7669944 0.72 ALDH1A1 (0.37) SMN1; SMN2MAPTALDH1A1HTTLMNA

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-6124297-A COMBATTING INSECTS OR MITES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 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-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed