SCHEMBL27939733

SCHEMBL27939733

CC(c1ccc(Oc2ccc(Cl)c(F)c2)cc1[N+](=O)[O-])C(C)(C)OC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAF1 P04049 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
GFER P55789 1/20 0.35
PAX8 Q06710 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
TTR P02766 1/20 0.34
PPOX P50336 1/20 0.34
CHEK2 O96017 1/20 0.34
PDK1 Q15118 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL27782507 0.92 SOS1 (0.40) LMNAMAPTALDH1A1RAF1HPGD
SCHEMBL27939738 0.83 EPAS1 (0.36) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL27804035 0.82 ICAM1 (0.39) RAF1CHEK2ICAM1SELEEGLN2
SCHEMBL27804050 0.79 MAPT (0.38) LMNAMAPTALDH1A1RAF1HPGD
SCHEMBL27782508 0.75 EPAS1 (0.38) MEN1KMT2ATDP1TBXA2RHTR2A
SCHEMBL27782471 0.74 L3MBTL1 (0.41) LMNAMAPTALDH1A1MAPK1TDP1
SCHEMBL27804090 0.74 SOS1 (0.41) MAPTCHEK2MAPK14PPARAHIF1A
SCHEMBL31009459 0.70 HTR2A (0.45) LMNAMAPTALDH1A1RAF1HPGD
SCHEMBL27939741 0.69 EPAS1 (0.38) LMNAMAPTALDH1A1HPGDMEN1
SCHEMBL3487172 0.69 HCAR3 (0.40) LMNAMAPTALDH1A1RAF1HPGD

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
CN-101679298-B Fused bicyclic heteroaryl derivatives DAIICHI SANKYO CO LTD 2013-10-23 CN disclosed