SCHEMBL20076491

SCHEMBL20076491

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 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
SCHEMBL20076889 0.82 IKBKE (0.33) KDM4EMEN1KMT2ATDP1IKBKE
SCHEMBL13980136 0.81 HDAC1 (0.36)
SCHEMBL20076895 0.79 KDM4E (0.39) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL20076674 0.77 TSHR (0.38) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL20045610 0.76 KDM4E (0.66) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL20076656 0.76 THRB (0.41) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL20076496 0.76 TBK1 (0.30) TBK1
SCHEMBL12352542 0.75 ALDH1A1 (0.47) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL23864570 0.73 ALDH1A1 (0.35) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL10158627 0.73 CRBN (0.38) KDM4EMEN1KMT2ATDP1ALDH1A1

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