SCHEMBL6094955

SCHEMBL6094955

Nc1ccc(SC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
KCNH2 Q12809 1/20 0.44
AR P10275 1/20 0.41
KIF11 P52732 1/20 0.38
FFAR4 Q5NUL3 8/20 0.37
PTPRZ1 P23471 2/20 0.37
PTPN1 P18031 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
FFAR1 O14842 3/20 0.36
PDE7A Q13946 1/20 0.36

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
SCHEMBL11252847 0.85 AR (0.58) KDM4EALDH1A1TDP1TSHRLMNA
SCHEMBL1809687 0.83 PDE7A (0.41) KDM4EALDH1A1TDP1TSHRMAPK1
SCHEMBL2020959 0.81 TDP1 (0.58) KDM4EALDH1A1TDP1TSHRLMNA
SCHEMBL29497534 0.81 TDP1 (0.58) KDM4EALDH1A1TDP1TSHRLMNA
SCHEMBL186400 0.80 FFAR4 (0.39) KDM4EALDH1A1TDP1TSHRAR
SCHEMBL11832172 0.80 KDM4E (0.52) KDM4EALDH1A1TDP1TSHRLMNA
Hydrochloric Acid SCHEMBL2016801 0.79 TDP1 (0.56) KDM4EALDH1A1TDP1TSHRLMNA
SCHEMBL3627129 0.78 ALDH1A1 (0.54) KDM4EALDH1A1TDP1TSHRLMNA
SCHEMBL7187814 0.77 TSHR (0.52) KDM4EALDH1A1TDP1TSHRMAPT
SCHEMBL31457316 0.77 TSHR (0.52) KDM4EALDH1A1TDP1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006099957-A1 INSECTICIDAL AND ACARICIDAL ANILINOTRIAZOLES BAYER CROPSCIENCE AG (DE) 2006-09-28 WO disclosed