SCHEMBL20076895

SCHEMBL20076895

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE10A Q9Y233 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
CASP1 P29466 1/20 0.31

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
SCHEMBL20076491 0.79 KDM4E (0.37) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL20076656 0.79 THRB (0.41) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL19391220 0.77 KDM4E (0.38) KDM4ETDP1ALDH1A1
SCHEMBL20076500 0.76 NOS3 (0.32) KDM4EMEN1KMT2ATDP1PDE10A
SCHEMBL20076674 0.76 TSHR (0.38) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL24146412 0.74 ALDH1A1 (0.50) KDM4EMEN1KMT2APDE10AALDH1A1
SCHEMBL90325 0.74 KDM4E (0.70) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL21020629 0.74 ALDH1A1 (0.50) KDM4EMEN1KMT2ATDP1PDE10A
SCHEMBL112391 0.72 ALDH1A1 (0.53) KDM4EMEN1KMT2ATDP1PDE10A
Hydrochloric Acid SCHEMBL23198661 0.70 ALDH1A1 (0.50) KDM4EMEN1KMT2ATDP1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed
WO-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed