SCHEMBL7979620

SCHEMBL7979620

O=C(NCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)c1ccco1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 2/20 0.46
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7073015 0.83 ALDH1A1 (0.41) KMT2AALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL8075519 0.83 NPC1 (0.49) KMT2AALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL8060900 0.83 HPGD (0.40) KMT2AMEN1ALDH1A1PKMHPGD
SCHEMBL7977790 0.83 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1HPGDMAPK1
SCHEMBL7965659 0.82 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1SMN1; SMN2PKM
SCHEMBL8067282 0.82 NPC1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL7965964 0.82 MCL1 (0.38) KMT2AALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7977366 0.81 NPC1 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL8051038 0.80 MCHR1 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL8065686 0.80 LMNA (0.47) KMT2ASMN1; SMN2HPGDNPC1POLB

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
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
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