SCHEMBL8405665

SCHEMBL8405665

ClCCCOc1c(Cl)cc(OCC=C(Br)Br)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KLK1 P06870 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
THRA P10827 3/20 0.31
THRB P10828 3/20 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
SCHEMBL8408832 0.96 KDM4E (0.39) KDM4EKMT2AMEN1CYP1A2CYP2D6
SCHEMBL8408791 0.93 KLK1 (0.38) KDM4EKMT2AMEN1KLK1ALDH1A1
SCHEMBL8407424 0.91 PLAU (0.33) KDM4E
SCHEMBL8409045 0.90 KDM4E (0.39) KDM4EKMT2AMEN1CYP1A2CYP2D6
SCHEMBL8408455 0.90 KDM4E (0.39) KDM4EKMT2AMEN1CYP1A2CYP2D6
SCHEMBL8407912 0.89 KLK1 (0.38) KDM4EKMT2AMEN1CYP1A2CYP2D6
SCHEMBL8405466 0.89 KDM4E (0.40) KDM4EKMT2AMEN1CYP1A2CYP2D6
SCHEMBL8408377 0.88 KLK1 (0.41) KDM4EKMT2AMEN1CYP1A2CYP2D6
SCHEMBL8408646 0.87 PLAU (0.33) KDM4EKMT2AMEN1CYP1A2CYP2D6
SCHEMBL8555058 0.85 KDM4E (0.40) KDM4EKMT2AMEN1CYP1A2CYP2D6

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-5872137-A AROMATIC OXY DIHALOPRENE COMPOUNDS INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-16 US disclosed
EP-0722430-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 1998-10-21 EP disclosed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP disclosed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO disclosed