Chlorobenzene

Chlorobenzene

SCHEMBL7159804

Clc1ccccc1.O=C(O)c1ccnn1C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
CCR2 P41597 2/20 0.38
POLB P06746 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RECQL P46063 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
MCL1 Q07820 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 3/20 0.36
PKM P14618 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
F2 P00734 1/20 0.35

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
SCHEMBL17064985 0.88 GRN (0.33) HTTPOLBKDM4EKLKB1MAPT
SCHEMBL27842913 0.76 HTT (0.34) HTTNPC1CYP1A2CYP2D6CYP2C19
SCHEMBL1380340 0.73 CCNC (0.34) HTTKMT2AL3MBTL1FLT1KDR
Hydrochloric Acid SCHEMBL30613390 0.71 CCNC (0.33) HTTKMT2AL3MBTL1
SCHEMBL30700394 0.71 HCAR3 (0.39) HTTPOLBKMT2AL3MBTL1NPC1
SCHEMBL26112334 0.69 F2 (0.47) POLBMEN1KMT2AL3MBTL1CYP1A2
Chlorobenzene SCHEMBL11116080 0.67 TSHR (0.55) HTTMEN1KMT2AL3MBTL1NPC1
SCHEMBL17869333 0.67 GRN (0.51) CCR2POLBMEN1KMT2ARECQL
SCHEMBL20916894 0.66 TSHR (0.48) HTTCCR2MEN1KMT2ANPC1
SCHEMBL14699330 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341780-A2 SUBSTITUTED HETEROCYCLIC PHTHALIC ACID DIAMIDE ARTHROPODICIDES E. I. du Pont de Nemours and Company (US) 2003-09-10 EP disclosed
WO-2002048137-A2 SUBSTITUTED HETEROCYCLIC PHTHALIC ACID DIAMIDE ARTHROPODICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-06-20 WO disclosed