SCHEMBL7979205

SCHEMBL7979205

O=C(NCCCCOc1c(Cl)cc(O)cc1Cl)c1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
MCHR1 Q99705 1/20 0.40
ITGAV P06756 2/20 0.40
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
DRD2 P14416 7/20 0.39
DRD3 P35462 7/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GAA P10253 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL7977471 0.96 HDAC1 (0.42) HDAC1HDAC3MCHR1ITGAVSLC6A9
SCHEMBL7979207 0.83 GPR84 (0.51) HDAC1HDAC3KMT2AMEN1HPGD
SCHEMBL7979398 0.83 HDAC3 (0.51) HDAC1HDAC3KMT2AMEN1HDAC6
SCHEMBL27481558 0.81 MCHR1 (0.43) HDAC1HDAC3MCHR1ITGAVDRD2
SCHEMBL7965943 0.79 MCHR1 (0.38) HDAC1HDAC3MCHR1ITGAVSLC6A9
SCHEMBL7076310 0.79 ESR1 (0.44) HDAC6GAA
SCHEMBL7977626 0.79 NPC1 (0.53) HDAC1HDAC3KMT2AMEN1HDAC6
SCHEMBL7979206 0.79 RAB9A (0.55) HDAC1HDAC3KMT2AMEN1HPGD
SCHEMBL7981767 0.79 HDAC3 (0.43) HDAC1HDAC3KMT2AMEN1HPGD
SCHEMBL7975941 0.79 KDM4E (0.58) HDAC1HDAC3KMT2AHPGDGAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP claimed
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 claimed
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 claimed
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 claimed
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