SCHEMBL28199669

SCHEMBL28199669

O=C1CC(Cc2ccc(F)cc2)CN1c1cccc(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
GRM4 Q14833 1/20 0.35

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
SCHEMBL22769484 0.72 MEN1 (0.38) MEN1KMT2AHTTMAPT
SCHEMBL6327832 0.66 HCRTR2 (0.40) TP53TSHRHTT
SCHEMBL1009572 0.63 BPTF (0.51) BPTFMEN1KMT2ATP53MAPT
SCHEMBL4340103 0.63 BPTF (0.51) BPTFMEN1KMT2ATP53MAPT
SCHEMBL6336614 0.63 CYP2C9 (0.43) MEN1KMT2ASMN1; SMN2
SCHEMBL28730730 0.62 SCN9A (0.57) MEN1KMT2AMAPT
SCHEMBL1583486 0.62 MEN1 (0.42) MEN1KMT2A
SCHEMBL4138166 0.62 GAA (0.41) TP53MAPT
SCHEMBL10568846 0.61 AADAT (0.39) MEN1KMT2ATSHRMAPT
SCHEMBL3634313 0.61 EPHX2 (0.48) TP53TSHR

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
CN-107690426-A Substituted cyclic amides as herbicide 杜邦公司 2018-02-13 CN claimed