SCHEMBL7979639

SCHEMBL7979639

NCCCOc1c(Br)cc(OCC=C(Br)Br)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.40
ICMT O60725 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
THRA P10827 4/20 0.33
THRB P10828 4/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL7979018 0.95 KLK1 (0.42) KLK1ICMTHRH3THRATHRB
SCHEMBL7975928 0.94 KLK1 (0.44) KLK1ICMTHRH3THRATHRB
SCHEMBL7979627 0.92 KLK1 (0.37) KLK1ICMTHRH3THRATHRB
SCHEMBL7981989 0.88 KLK1 (0.40) KLK1ICMTHRH3THRATHRB
SCHEMBL8408791 0.88 KLK1 (0.38) KLK1HRH3THRATHRBKDM4E
SCHEMBL7978120 0.87 PLAU (0.41) KDM4E
SCHEMBL8409137 0.86 KLK1 (0.37) KLK1HRH3THRATHRBKDM4E
SCHEMBL8407580 0.86 KLK1 (0.37) KLK1HRH3THRATHRBKDM4E
SCHEMBL8408377 0.86 KLK1 (0.41) KLK1HRH3THRATHRBKDM4E
SCHEMBL8405765 0.85 KLK1 (0.40) KLK1HRH3THRATHRBKDM4E

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 6 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
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