SCHEMBL29034725

SCHEMBL29034725

O=C(O)c1cc(Oc2ccc(C(F)F)c(F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ TTR P02766 2/20 0.58
▸ PPOX P50336 1/20 0.58
▸ ALB P02768 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ DTYMK P23919 1/20 0.40
▸ HPSE Q9Y251 1/20 0.39
▸ PYGL P06737 5/20 0.39
▸ PYGM P11217 4/20 0.39
▸ HSPB1 P04792 1/20 0.37
▸ AKR1B10 O60218 1/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ AKR1C4 P17516 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL28366683 0.84 SCN9A (0.46) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9552008 0.82 TDP1 (0.44) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9442005 0.81 TDP1 (0.45) TDP1MEN1KMT2ATTRPPOX
SCHEMBL8762042 0.80 MEN1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11282021 0.79 MEN1 (0.71) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10786312 0.78 MEN1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL8734749 0.78 MEN1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9601597 0.77 KMT2A (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11004062 0.77 MEN1 (0.72) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11053422 0.77 MEN1 (0.64) 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
CN-114887563-B Microchannel reactor for improving nitration yield and process thereof 江苏长青农化南通有限公司 2023-07-14 — — CN claimed
CN-114887563-B Microchannel reactor for improving nitration yield and process thereof 江苏长青农化南通有限公司 2023-07-14 — — CN disclosed
Send feedback