SCHEMBL9840879

SCHEMBL9840879

N#Cc1c(C(F)(F)F)[nH]c([N+](=O)[O-])c1-c1ccc(I)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 2/20 0.33
KCNJ11 Q14654 2/20 0.33
GYS1 P13807 1/20 0.33
ALDH1A1 P00352 5/20 0.33
GAA P10253 4/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
GLA P06280 4/20 0.32
HPGD P15428 3/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
ATM Q13315 1/20 0.32
PSD A5PKW4 2/20 0.31
GRIA2 P42262 1/20 0.30
GRIA4 P48058 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9337591 0.71 ALDH1A1 (0.38) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL9840656 0.70 PSD (0.42) ABCC8KCNJ11GYS1ALDH1A1MAPT
SCHEMBL9337659 0.68 VCAM1 (0.33) ALDH1A1GAAKDM4EHTTKMT2A
SCHEMBL27260544 0.68 TDP1 (0.38) ABCC8KCNJ11ALDH1A1GAAKDM4E
SCHEMBL9518626 0.67 ALDH1A1 (0.38) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL9840597 0.66 KDM4E (0.46) GYS1ALDH1A1GAAKDM4EMAPT
SCHEMBL9840222 0.65 KDM4E (0.34) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL11782201 0.65 MERTK (0.36) ALDH1A1GAAHTTKMT2AHPGD
SCHEMBL9015168 0.64 PSD (0.45) ABCC8KCNJ11GYS1ALDH1A1GAA
SCHEMBL8899055 0.64 KIF11 (0.50) ABCC8KCNJ11ALDH1A1MAPTKMT2A

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
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-0312723-A2 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP disclosed