SCHEMBL8659705

SCHEMBL8659705

CCOc1c(Cl)cc(OCC=C(Br)Br)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
THRB P10828 1/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ABL1 P00519 1/20 0.34
GAA P10253 1/20 0.34
RIN1 Q13671 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8661481 0.90 PLAU (0.31) MEN1KMT2AHSD17B10
SCHEMBL8660426 0.85 ALDH1A1 (0.41) ALDH1A1HTTLMNACYP1A2CYP3A4
SCHEMBL8408219 0.84 HTT (0.37) HTT
SCHEMBL8408664 0.84
SCHEMBL8407424 0.83 PLAU (0.33) HPGDMAPTKDM4EL3MBTL1
SCHEMBL8409038 0.81 PLAU (0.33) HPGDMAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL7981930 0.81 PLAU (0.49)
SCHEMBL8408646 0.81 PLAU (0.33) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL8405412 0.81 PLAU (0.33) HPGDMAPTKDM4EL3MBTL1
SCHEMBL7978120 0.80 PLAU (0.41) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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