SCHEMBL20076674

SCHEMBL20076674

C=C(C)c1cc(N)cc(C(F)(F)F)c1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KIF11 P52732 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CFTR P13569 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TMPRSS4 Q9NRS4 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
SCHEMBL15914665 0.80 TSHR (0.50) TSHRGLAPOLBGAAKDM4E
SCHEMBL24973071 0.79 CES2 (0.39) MEN1KMT2AKIF11PDE3BPDE3A
SCHEMBL38659817 0.78 GAA (0.52) TSHRGLAPOLBGAAKDM4E
SCHEMBL20076491 0.77 KDM4E (0.37) TSHRKDM4EMEN1KMT2ATDP1
SCHEMBL20076895 0.76 KDM4E (0.39) TSHRKDM4EMEN1KMT2ATDP1
SCHEMBL12816383 0.74 TSHR (0.45) TSHRGLAPOLBGAAKDM4E
SCHEMBL24118132 0.74 TSHR (0.45) TSHRGLAPOLBGAAKDM4E
SCHEMBL20076656 0.73 THRB (0.41) TSHRKDM4EMEN1KMT2ATDP1
SCHEMBL25810982 0.72 TSHR (0.43) TSHRGLAPOLBGAAKDM4E
SCHEMBL30688815 0.71 GAA (0.42) TSHRGLAPOLBGAAMEN1

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-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed