SCHEMBL27939738

SCHEMBL27939738

CC(c1cccc(Oc2ccc(Cl)c(F)c2)c1[N+](=O)[O-])C(C)(C)OC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
TLR8 Q9NR97 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2A P28223 5/20 0.34
SLC6A4 P31645 5/20 0.34
KCNH2 Q12809 5/20 0.34
PTGER3 P43115 2/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 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
SCHEMBL27782508 0.93 EPAS1 (0.38) EPAS1TLR8KMT2AMEN1TDP1
SCHEMBL27939733 0.83 LMNA (0.35) ICAM1SELEKMT2AMEN1TDP1
SCHEMBL27939741 0.82 EPAS1 (0.38) EPAS1ICAM1SELETLR8KMT2A
SCHEMBL27804035 0.77 ICAM1 (0.39) ICAM1SELEHTR2ASLC6A4KCNH2
SCHEMBL27782507 0.75 SOS1 (0.40) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL27782509 0.74 EPAS1 (0.40) EPAS1TLR8KMT2AMEN1TDP1
SCHEMBL3487169 0.73 HTR2A (0.40) EPAS1ICAM1SELETLR8KMT2A
SCHEMBL3487173 0.73 HTR2A (0.40) EPAS1ICAM1SELETLR8KMT2A
SCHEMBL14674111 0.73 EPAS1 (0.37) EPAS1TLR8KMT2AMEN1TDP1
SCHEMBL14674110 0.71 SLC6A4 (0.39) EPAS1KMT2AMEN1TDP1ALDH1A1

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