SCHEMBL27939741

SCHEMBL27939741

CC(C)(C)OC(N)=O.Cc1cccc(Oc2ccc(Cl)c(F)c2)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.38
TBXA2R P21731 2/20 0.37
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
KCNH2 Q12809 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL27782509 0.92 EPAS1 (0.40) EPAS1TBXA2RKMT2AMEN1ALDH1A1
SCHEMBL27939738 0.82 EPAS1 (0.36) EPAS1TBXA2RICAM1SELEKMT2A
SCHEMBL27804036 0.76 ICAM1 (0.40) ICAM1SELEKMT2AMEN1HTR2A
SCHEMBL3487169 0.76 HTR2A (0.40) EPAS1ICAM1SELEKMT2AMEN1
SCHEMBL3487173 0.76 HTR2A (0.40) EPAS1ICAM1SELEKMT2AMEN1
SCHEMBL14674111 0.75 EPAS1 (0.37) EPAS1KMT2AMEN1ALDH1A1TDP1
SCHEMBL27782508 0.74 EPAS1 (0.38) EPAS1TBXA2RKMT2AMEN1TDP1
SCHEMBL14674110 0.73 SLC6A4 (0.39) EPAS1KMT2AMEN1ALDH1A1TDP1
SCHEMBL6229156 0.71 ALDH1A1 (0.50) EPAS1KMT2AMEN1ALDH1A1TDP1
SCHEMBL27939733 0.69 LMNA (0.35) TBXA2RICAM1SELEKMT2AMEN1

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