SCHEMBL11079893

SCHEMBL11079893

O=[N+]([O-])c1ccc(Cl)c(F)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
GPR35 Q9HC97 4/20 0.50
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
VCAM1 P19320 2/20 0.44
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ERN1 O75460 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL30490230 0.82 TDP1 (0.57) TDP1TSHRMAPK1VCAM1CYP3A4
SCHEMBL8013048 0.82 TDP1 (0.57) TDP1TSHRMAPK1VCAM1CYP3A4
SCHEMBL5595026 0.80 TDP1 (0.67) TDP1GPR35TSHRMAPK1VCAM1
SCHEMBL31170798 0.80 TDP1 (0.67) TDP1GPR35TSHRMAPK1VCAM1
SCHEMBL29417506 0.80 TDP1 (0.67) TDP1GPR35TSHRMAPK1VCAM1
SCHEMBL27718719 0.80 HPGD (0.55) TDP1GPR35TSHRMAPK1CYP3A4
SCHEMBL521166 0.80 GPR35 (0.54) TDP1GPR35TSHRMAPK1VCAM1
SCHEMBL306584 0.80 TDP1 (0.67) TDP1GPR35TSHRMAPK1VCAM1
SCHEMBL11868759 0.78 TDP1 (0.53) TDP1GPR35TSHRMAPK1VCAM1
SCHEMBL28781888 0.78 TDP1 (0.49) TDP1TSHRMAPK1VCAM1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58052290-A None JP disclosed
EP-0047005-B1 BENZOXAZINE DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1984-11-14 EP disclosed
US-4382892-A Benzoxazine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1983-05-10 US disclosed
JP-S5852290-A PYRIDOBENZOXAZINECARBOXYLIC ACID DERIVATIVE DAI ICHI SEIYAKU CO LTD 1983-03-28 JP disclosed
EP-0047005-A1 Benzoxazine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1982-03-10 EP disclosed
JP-S05852290-A 0001-01-01 JP disclosed