SCHEMBL10690285

SCHEMBL10690285

O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1CCC(O)=S

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
TTR P02766 1/20 0.65
PPOX P50336 1/20 0.65
FFAR1 O14842 5/20 0.53
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
HTR2A P28223 3/20 0.39
SLC6A4 P31645 3/20 0.39
KCNH2 Q12809 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL10508540 0.90 MEN1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10689482 0.89 TDP1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10965061 0.88 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10966622 0.85 TDP1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10554944 0.85 MEN1 (0.69) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11094278 0.85 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10990004 0.85 MEN1 (0.63) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10692395 0.84 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11262239 0.84 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10802698 0.84 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX

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
US-4744812-A HALOGENATED DIPHENYL ETHER BASF AKTIENGESELLSCHAFT (DE) 1988-05-17 US disclosed