SCHEMBL11090281

SCHEMBL11090281

CCNC(=O)C(C)(CC1OCCO1)Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TTR P02766 1/20 0.51
PPOX P50336 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 4/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.39
FFAR1 O14842 5/20 0.38
POLB P06746 1/20 0.38
PPARG P37231 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36

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
SCHEMBL11090276 0.80 TDP1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11081834 0.79 TDP1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11087944 0.78 TDP1 (0.53) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9438374 0.77 TDP1 (0.63) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768703 0.76 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10508491 0.76 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11091007 0.76 TDP1 (0.49) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9511905 0.76 MEN1 (0.60) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9511912 0.76 MEN1 (0.60) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11080021 0.75 TDP1 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4478634-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1984-10-23 US disclosed
US-4402729-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1983-09-06 US disclosed