SCHEMBL9840686

SCHEMBL9840686

N#Cc1c(C(F)(F)F)[nH]c(C(F)(F)F)c1-c1ccc(OC(F)C(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
KDM4E B2RXH2 3/20 0.35
GLA P06280 1/20 0.35
ADORA1 P30542 2/20 0.33
ALDH1A1 P00352 3/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KMT2A Q03164 2/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
PIM1 P11309 1/20 0.30
ADORA2A P29274 1/20 0.30
CUL4A Q13619 2/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
MAPK10 P53779 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL9840681 0.83 KDM4E (0.38) MAPTKDM4EGLAADORA1ALDH1A1
SCHEMBL9015109 0.69 ALDH1A1 (0.41) MAPTKDM4EGLAADORA1ALDH1A1
SCHEMBL2164878 0.69 DRD1 (0.34) MAPTALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL9840597 0.66 KDM4E (0.46) MAPTKDM4EGLAADORA1ALDH1A1
SCHEMBL9015062 0.66 KDM4E (0.48) MAPTKDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL7980645 0.65 CYP1A2 (0.46) MAPTGAA
SCHEMBL9446496 0.65 IDO1 (0.37) MAPTKDM4EGLAALDH1A1KMT2A
SCHEMBL10582426 0.62 ALDH1A1 (0.38) MAPTALDH1A1KMT2AGAAHTT
SCHEMBL9446485 0.62 GRM5 (0.47) MAPTKDM4EGLAADORA1ALDH1A1
SCHEMBL9339832 0.61 PDE9A (0.48) MAPTKDM4EGLAADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0347488-A1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1989-12-27 EP disclosed