SCHEMBL8067282

SCHEMBL8067282

O=C(NCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
HPGD P15428 5/20 0.49
POLB P06746 2/20 0.46
PYGL P06737 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.42
NAMPT P43490 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
P2RX7 Q99572 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7976346 0.88 KMT2A (0.48) NPC1RAB9AHPGDPOLBALDH1A1
SCHEMBL8062554 0.88 KMT2A (0.48) NPC1RAB9AHPGDPOLBSMN1; SMN2
SCHEMBL8065667 0.88 NPC1 (0.42) NPC1RAB9AHPGDPOLBSMN1; SMN2
SCHEMBL8075519 0.88 NPC1 (0.49) NPC1RAB9AHPGDPOLBSMN1; SMN2
SCHEMBL8060900 0.88 HPGD (0.40) NPC1RAB9AHPGDPOLBALDH1A1
SCHEMBL7982289 0.84 HDAC1 (0.45) NPC1RAB9AHPGDALDH1A1P2RX7
SCHEMBL7977366 0.83 NPC1 (0.48) NPC1RAB9AHPGDPOLBSMN1; SMN2
SCHEMBL7965905 0.83 FOLH1 (0.40) NPC1RAB9AHPGDPOLBSMN1; SMN2
SCHEMBL8051038 0.83 MCHR1 (0.48) HPGDSMN1; SMN2ALDH1A1NAMPTSIGMAR1
SCHEMBL8060916 0.83 HPGD (0.51) NPC1RAB9AHPGDPOLBALDH1A1

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
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
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