SCHEMBL9194369

SCHEMBL9194369

COC(=O)C(C)Oc1cc(Oc2c(F)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TTR P02766 1/20 0.46
PPOX P50336 1/20 0.46
MAPT P10636 5/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.36
KIF11 P52732 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CCR6 P51684 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
CYP3A4 P08684 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
SCHEMBL9194374 1.00 TDP1 (0.46) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10987548 0.94 TDP1 (0.48) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9138033 0.94 MEN1 (0.46) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9133362 0.93 TDP1 (0.42) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9132855 0.92 MEN1 (0.44) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11036501 0.91 KMT2A (0.44) TDP1MEN1KMT2ATTRPPOX
SCHEMBL8938801 0.86 MEN1 (0.40) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9198781 0.86 MEN1 (0.63) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11383552 0.85 TDP1 (0.41) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11061020 0.85 TDP1 (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434440-B1 Benzoxazine derivatives, benzothiazine derivatives and herbicides comprising the same SUNTORY LTD (JP) 1995-09-20 EP disclosed
US-5141551-A BENZOXAZINE DERIVATIVE AND BENZOTHIAZINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT SUNTORY LIMITED (JP) 1992-08-25 US disclosed
EP-0434440-A1 Benzoxazine derivatives, benzothiazine derivatives and herbicides comprising the same SUNTORY LIMITED (JP) 1991-06-26 EP disclosed