SCHEMBL8445554

SCHEMBL8445554

N#CC/C(C#N)=C\Nc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
MAPK1 P28482 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
MRGPRX4 Q96LA9 5/20 0.35
CES2 O00748 1/20 0.35
RPS6KA3 P51812 1/20 0.35
JAK3 P52333 1/20 0.35
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
XBP1 P17861 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL8445555 1.00 GAA (0.40) GAAMAPK1RXFP1ALDH1A1SMN1; SMN2
SCHEMBL8822870 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTMRGPRX4MAPT
SCHEMBL8822868 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTMRGPRX4MAPT
SCHEMBL9394595 0.83
SCHEMBL8822721 0.82 RAPGEF3 (0.34) ALDH1A1SMN1; SMN2MRGPRX4MAPTTDP1
SCHEMBL8822723 0.82 RAPGEF3 (0.34) ALDH1A1SMN1; SMN2MRGPRX4MAPTTDP1
SCHEMBL8822748 0.75 NPSR1 (0.46) ALDH1A1CES2MAPTKDM4EHPGD
SCHEMBL8822756 0.75 NPSR1 (0.46) ALDH1A1CES2MAPTKDM4EHPGD
SCHEMBL5743661 0.73 GAA (0.37) GAAMAPK1RXFP1ALDH1A1SMN1; SMN2
SCHEMBL3326397 0.73 GAA (0.37) GAAMAPK1RXFP1ALDH1A1SMN1; SMN2

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
EP-0460940-B1 Pesticidal 1-arylpyrroles RHONE POULENC AGROCHIMIE (FR) 1999-01-27 EP disclosed
EP-0372982-B1 Pyrrole insecticides RHONE POULENC AGROCHIMIE (FR) 1997-07-02 EP disclosed
US-5506260-A INSECTICIDES, ACARICIDES, NEMATOCIDES RHONE-POULENC AG COMPANY (US) 1996-04-09 US disclosed
US-5187185-A Pesticidal 1-arylpyrroles RHONE-POULENC AG COMPANY (US) 1993-02-16 US disclosed
EP-0460940-A1 Pesticidal 1-arylpyrroles RHONE-POULENC AGROCHIMIE (FR) 1991-12-11 EP disclosed
EP-0372982-A2 Pyrrole insecticides RHONE-POULENC AGROCHIMIE (FR) 1990-06-13 EP disclosed