SCHEMBL10443753

SCHEMBL10443753

CC(CO)Nc1cc(Oc2c(F)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
TDP1 Q9NUW8 4/20 0.42
TTR P02766 1/20 0.42
PPOX P50336 1/20 0.42
KIF11 P52732 2/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 8/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 5/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35
HPGD P15428 3/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34

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
SCHEMBL10443707 0.86 MEN1 (0.42) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11017176 0.85 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9332431 0.84 KMT2A (0.45) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11195406 0.84 MEN1 (0.47) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10443547 0.84 THRB (0.34) PKMLMNATHRB
SCHEMBL11188202 0.81 TDP1 (0.49) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10989931 0.81 TDP1 (0.49) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10996557 0.80 TDP1 (0.46) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9134954 0.80 TDP1 (0.50) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8693593 0.80 MEN1 (0.50) 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
EP-0355049-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1990-02-21 EP disclosed