SCHEMBL7978142

SCHEMBL7978142

O=C(NCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
ATM Q13315 2/20 0.42
POLB P06746 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 5/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 4/20 0.39
PAX8 Q06710 1/20 0.39
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL7977790 0.85 ALDH1A1 (0.47) LMNAL3MBTL1TDP1KMT2AMAPT
SCHEMBL8065621 0.82 ALDH1A1 (0.47) LMNAHTTL3MBTL1KMT2AMAPT
SCHEMBL8082381 0.82 HPGD (0.47) LMNAL3MBTL1TDP1KMT2AMAPT
SCHEMBL7979620 0.80 KMT2A (0.51) POLBL3MBTL1KMT2ARAB9AMEN1
SCHEMBL8060900 0.77 HPGD (0.40) HTTPOLBKMT2ARAB9AMEN1
SCHEMBL8075519 0.77 NPC1 (0.49) POLBRECQLTDP1KMT2ARAB9A
SCHEMBL7977366 0.77 NPC1 (0.48) POLBNFKB1L3MBTL1BLMKMT2A
SCHEMBL8065686 0.76 LMNA (0.47) LMNAHTTPOLBKMT2AMAPT
SCHEMBL7982350 0.76 ALDH1A1 (0.37) LMNAHTTPOLBKMT2AMAPT
SCHEMBL8067282 0.76 NPC1 (0.55) POLBKMT2ARAB9AMEN1ALDH1A1

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
EP-0824514-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-02-25 EP disclosed
WO-1996033160-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-24 WO disclosed