SCHEMBL10689482

SCHEMBL10689482

COC(=S)CCc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TTR P02766 1/20 0.59
PPOX P50336 1/20 0.59
FFAR1 O14842 3/20 0.48
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HTR2A P28223 5/20 0.41
SLC6A4 P31645 5/20 0.41
KCNH2 Q12809 5/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CCR6 P51684 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
HPGD P15428 2/20 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
SCHEMBL10690285 0.89 MEN1 (0.65) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10965061 0.85 MEN1 (0.65) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11097098 0.85 MEN1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10990004 0.84 MEN1 (0.63) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10691494 0.83 FFAR1 (0.49) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10508540 0.83 MEN1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10928276 0.83 TDP1 (0.59) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10554944 0.83 MEN1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11202007 0.83 TDP1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10966622 0.83 TDP1 (0.66) TDP1MEN1KMT2ATTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4744812-A HALOGENATED DIPHENYL ETHER BASF AKTIENGESELLSCHAFT (DE) 1988-05-17 US claimed
EP-0056119-B1 SUBSTITUTED DIPHENYL ETHERS, HERBICIDES CONTAINING THEM AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1985-08-07 EP claimed
US-4744812-A HALOGENATED DIPHENYL ETHER BASF AKTIENGESELLSCHAFT (DE) 1988-05-17 US disclosed