SCHEMBL17375799

SCHEMBL17375799

COC(O)C(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.37
POLB P06746 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP19A1 P11511 2/20 0.35
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FAAH O00519 1/20 0.33
TSHR P16473 2/20 0.32

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
SCHEMBL30779648 0.88 AR (0.40) ARPOLBHSP90AA1HPGDKMT2A
SCHEMBL29678012 0.84 AR (0.41) ARPOLBHSP90AA1HPGDKMT2A
SCHEMBL20526065 0.84 AR (0.41) ARPOLBHSP90AA1HPGDKMT2A
SCHEMBL20184136 0.84 AR (0.41) ARPOLBHSP90AA1HPGDKMT2A
SCHEMBL20875218 0.83 POLB (0.39) ARPOLBHSP90AA1HPGDKMT2A
SCHEMBL20267837 0.82 AR (0.40) ARPOLBHSP90AA1HPGDKMT2A
SCHEMBL28037146 0.82 AR (0.39) ARPOLBHPGDKMT2ACYP3A4
SCHEMBL20641133 0.81 AR (0.38) ARPOLBHSP90AA1HPGDKMT2A
SCHEMBL28037147 0.81 AR (0.40) ARPOLBHPGDKMT2ACYP19A1
SCHEMBL17769818 0.80 AR (0.41) ARPOLBHSP90AA1HPGDKMT2A

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-3160229-A1 PESTICIDAL COMPOSITIONS BASF Agro B.V. (NL) 2017-05-03 EP disclosed
WO-2015197393-A1 PESTICIDAL COMPOSITIONS BASF SE (DE) 2015-12-30 WO disclosed