SCHEMBL7981989

SCHEMBL7981989

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.40
ICMT O60725 1/20 0.36
HTT P42858 2/20 0.35
THRA P10827 4/20 0.33
THRB P10828 4/20 0.33
HRH3 Q9Y5N1 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HPGD P15428 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7975940 0.95 KLK1 (0.42) KLK1ICMTHTTTHRATHRB
SCHEMBL7979431 0.94 KLK1 (0.44) KLK1ICMTHTTTHRATHRB
SCHEMBL7977649 0.92 KLK1 (0.37) KLK1ICMTHTTTHRATHRB
SCHEMBL7979639 0.88 KLK1 (0.40) KLK1ICMTHTTTHRATHRB
SCHEMBL8405833 0.88 KLK1 (0.38) KLK1HTTTHRATHRBHRH3
SCHEMBL8408402 0.86 KLK1 (0.37) KLK1HTTTHRATHRBHRH3
SCHEMBL8405448 0.86 KLK1 (0.41) KLK1HTTTHRATHRBHRH3
SCHEMBL8405839 0.86 KLK1 (0.37) KLK1HTTTHRATHRBHRH3
SCHEMBL8405537 0.85 KLK1 (0.40) KLK1HTTTHRATHRBHRH3
SCHEMBL4470834 0.85 PLAU (0.42) HTTMAPTL3MBTL1HPGD

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