SCHEMBL10867836

SCHEMBL10867836

FC(F)(F)c1ccc(Oc2ccc3[nH]c(C(F)(F)F)nc3c2)c(Cl)c1.O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ TDP1 Q9NUW8 4/20 0.56
▸ TTR P02766 1/20 0.56
▸ PPOX P50336 1/20 0.56
▸ MAPT P10636 6/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ POLB P06746 2/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ FFAR1 O14842 3/20 0.39
▸ FGFR4 P22455 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL10867838 0.93 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8694365 0.85 TDP1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL28236153 0.78 CYP1A2 (0.42) TDP1MAPTKDM4ECYP2C9CYP2C19
SCHEMBL10706908 0.78 TDP1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10594849 0.77 MEN1 (0.70) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10540835 0.77 TDP1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL30689708 0.77 TDP1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10931184 0.76 TDP1 (0.71) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11168713 0.76 TDP1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10948668 0.76 TDP1 (0.71) 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-0178708-A2 Heteroaromatic ether herbicides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-04-23 — — EP disclosed
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