SCHEMBL8065540

SCHEMBL8065540

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
NFKB2 Q00653 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) NPC1RAB9AHPGDALDH1A1KMT2A
SCHEMBL8077400 0.89 MAPT (0.47) NPC1RAB9AHPGDALDH1A1KMT2A
SCHEMBL8075519 0.89 NPC1 (0.49) NPC1RAB9AHPGDALDH1A1KMT2A
SCHEMBL7976340 0.88 NPC1 (0.45) NPC1RAB9AHPGDALDH1A1KMT2A
SCHEMBL8060916 0.88 HPGD (0.51) NPC1RAB9AHPGDALDH1A1KMT2A
SCHEMBL8060882 0.88 RAB9A (0.50) NPC1RAB9AHPGDALDH1A1KMT2A
SCHEMBL8065679 0.88 NPC1 (0.56) NPC1RAB9AHPGDALDH1A1KMT2A
SCHEMBL7977739 0.88 RHOC (0.51) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8067281 0.87 RAB9A (0.41) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL8061945 0.86 KMT2A (0.47) NPC1RAB9AALDH1A1KMT2AMEN1

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