SCHEMBL7982350

SCHEMBL7982350

Cn1ncc(C(=O)NCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 3/20 0.35
LMNA P02545 4/20 0.32
NR3C1 P04150 1/20 0.32
GAA P10253 2/20 0.32
S1PR4 O95977 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MITF O75030 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL8065621 0.79 ALDH1A1 (0.47) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL8067282 0.77 NPC1 (0.55) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL7976271 0.77 MAPT (0.49) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL7978142 0.76 ALOX5 (0.42) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL8062554 0.76 KMT2A (0.48) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL7976346 0.76 KMT2A (0.48) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL7982401 0.76 NPC1 (0.45) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL8061945 0.75 KMT2A (0.47) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL7976286 0.75 HTT (0.40) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL7979672 0.75 KDM4E (0.51) ALDH1A1NPC1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP disclosed
US-6028100-A Dihalopropene compounds, insecticides containing them as active ingredients, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-22 US disclosed
US-5952386-A EXCELLENT INSECTICIDAL ACTIVITY FOR THE CONTROL OF NOXIOUS INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-14 US disclosed