SCHEMBL8407261

SCHEMBL8407261

Clc1ccccc1COc1c(Cl)cc(OCC=C(Br)Br)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
FABP4 P15090 2/20 0.41
FABP5 Q01469 2/20 0.41
MAOB P27338 3/20 0.41
MAOA P21397 1/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
RAD52 P43351 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IDO1 P14902 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL8405491 0.88 NR4A2 (0.43) NR4A2NPC1RAB9AFABP4FABP5
SCHEMBL8661481 0.82 PLAU (0.31) MEN1KMT2A
SCHEMBL8405446 0.82 NR4A2 (0.45) NR4A2NPC1RAB9AFABP4FABP5
SCHEMBL8409336 0.79 PARP10 (0.39) NR4A2NPC1RAB9AFABP4FABP5
SCHEMBL8654920 0.77 MRGPRX4 (0.46) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL8659705 0.77 ALDH1A1 (0.40) NPC1RAB9AHPGDMAPTSMN1; SMN2
SCHEMBL8408664 0.77
SCHEMBL8408219 0.77 HTT (0.37) HTT
SCHEMBL8408823 0.76 MAPT (0.44) NPC1RAB9AMAOBMAPTSMN1; SMN2
SCHEMBL8407277 0.76 THRA (0.42) MAOBMAOAMAPTMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872137-A AROMATIC OXY DIHALOPRENE COMPOUNDS INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-16 US disclosed
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