SCHEMBL28054855

SCHEMBL28054855

O=C(O)c1cc(Oc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
TTR P02766 1/20 0.46
PPOX P50336 1/20 0.46
HPSE Q9Y251 1/20 0.45
MERTK Q12866 1/20 0.42
EPAS1 Q99814 3/20 0.42
PDE7A Q13946 1/20 0.42
MAPT P10636 2/20 0.40
DTYMK P23919 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL28447405 0.88 KMT2A (0.40) MEN1KMT2ATDP1TTRPPOX
SCHEMBL29596381 0.83 HTT (0.49) MEN1KMT2ATDP1TTRPPOX
SCHEMBL28256503 0.83 HTT (0.49) MEN1KMT2ATDP1TTRPPOX
SCHEMBL28256429 0.82 HPSE (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL2821186 0.79 HPSE (0.56) MEN1KMT2ATTRHPSEEPAS1
SCHEMBL28054763 0.79 HSPB1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL28054738 0.79 HPSE (0.50) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9543906 0.78 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL28054740 0.77 KMT2A (0.53) MEN1KMT2ATDP1TTRPPOX
SCHEMBL28456608 0.76 TDP1 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105693634-B Compound and application thereof 清华大学 2018-12-11 CN disclosed
CN-105693634-A Compound and application thereof 清华大学 2016-06-22 CN disclosed