SCHEMBL7979627

SCHEMBL7979627

NCCOc1c(Br)cc(OCC=C(Br)Br)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.37
PLAU P00749 2/20 0.36
HRH3 Q9Y5N1 2/20 0.33
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRA P10827 4/20 0.31
THRB P10828 4/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ICMT O60725 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL7979639 0.92 KLK1 (0.40) KLK1HRH3ALDH1A1SMN1; SMN2THRA
SCHEMBL7979018 0.91 KLK1 (0.42) KLK1HRH3ALDH1A1SMN1; SMN2THRA
SCHEMBL7975928 0.90 KLK1 (0.44) KLK1HRH3ALDH1A1THRATHRB
SCHEMBL7977649 0.88 KLK1 (0.37) KLK1PLAUALDH1A1SMN1; SMN2THRA
SCHEMBL7981930 0.86 PLAU (0.49) PLAUTAAR1
SCHEMBL8408791 0.86 KLK1 (0.38) KLK1HRH3ALDH1A1SMN1; SMN2THRA
SCHEMBL8407580 0.84 KLK1 (0.37) KLK1HRH3ALDH1A1SMN1; SMN2THRA
SCHEMBL8409137 0.84 KLK1 (0.37) KLK1PLAUHRH3ALDH1A1SMN1; SMN2
SCHEMBL8408377 0.84 KLK1 (0.41) KLK1HRH3ALDH1A1SMN1; SMN2THRA
SCHEMBL8405765 0.83 KLK1 (0.40) KLK1HRH3ALDH1A1THRATHRB

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 5 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
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