SCHEMBL9840656

SCHEMBL9840656

O=[N+]([O-])c1[nH]c(C(F)(F)F)c(-c2ccc(Cl)cc2)c1I

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 8/20 0.42
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
GYS1 P13807 2/20 0.34
ARF6 P62330 2/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NPBWR1 P48145 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLAT P00750 1/20 0.33

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
SCHEMBL9015058 0.79 PSD (0.43) PSDKCNQ3KCNQ2ABCC8KCNJ11
SCHEMBL9015083 0.76 PSD (0.43) PSDKCNQ3KCNQ2ABCC8KCNJ11
SCHEMBL9015086 0.75 ABCC8 (0.47) PSDKCNQ3KCNQ2ABCC8KCNJ11
SCHEMBL9015124 0.75 PSD (0.40) PSDKCNQ3KCNQ2ABCC8KCNJ11
SCHEMBL9015102 0.75 PSD (0.50) PSDABCC8KCNJ11GYS1MEN1
SCHEMBL9015077 0.75 ABCC8 (0.47) PSDKCNQ3KCNQ2ABCC8KCNJ11
SCHEMBL9015048 0.74 PSD (0.40) PSDKCNQ3KCNQ2ABCC8KCNJ11
SCHEMBL9015168 0.71 PSD (0.45) PSDABCC8KCNJ11GYS1ARF6
SCHEMBL9015127 0.71 MAPT (0.40) PSDKCNQ3KCNQ2ABCC8KCNJ11
SCHEMBL9015158 0.71 PSD (0.39) PSDABCC8KCNJ11ARF6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1026206-C Arylpyrrole insecticidal acaricidal and nematicidal agents and method for preparation thereof AMERICAN CYANAMID CO (US) 1994-10-19 CN disclosed
US-5010098-A Arylpyrrole insecticidal acaricidal and nematicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-04-23 US disclosed
US-4929634-A ARYLPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1990-05-29 US disclosed
CN-1039807-A Desinsection, kill mite, nematocides aryl-pyrrolidine and preparation method thereof AMERICAN CYANAMID CO (US) 1990-02-21 CN disclosed
EP-0347488-A1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1989-12-27 EP disclosed
EP-0312723-A2 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP disclosed