SCHEMBL8077400

SCHEMBL8077400

O=C(NCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.43
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 6/20 0.41
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
SLC6A3 Q01959 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL7977366 0.91 NPC1 (0.48) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL7977739 0.90 RHOC (0.51) MAPTALDH1A1RHOCRHOAKMT2A
SCHEMBL8065540 0.89 NPC1 (0.51) MAPTRAB9AALDH1A1NPC1RHOC
SCHEMBL8075519 0.89 NPC1 (0.49) POLBRAB9AALDH1A1NPC1RHOC
SCHEMBL7979275 0.89 RHOC (0.45) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL8060916 0.88 HPGD (0.51) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL7976340 0.88 NPC1 (0.45) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL8065652 0.88 TRPV1 (0.51) RHOCRHOA
SCHEMBL8060882 0.88 RAB9A (0.50) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL8065679 0.88 NPC1 (0.56) MAPTPOLBRAB9AALDH1A1NPC1

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