SCHEMBL10697964

SCHEMBL10697964

CCOC(=O)COc1nc(Oc2c(Cl)cc(C(F)(F)F)c(F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
PLA2G7 Q13093 1/20 0.37
MAPT P10636 4/20 0.34
MAOA P21397 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
S1PR4 O95977 1/20 0.32
ITGA4 P13612 1/20 0.32
HPGD P15428 1/20 0.32
S1PR1 P21453 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TLR9 Q9NR96 1/20 0.32
PPARD Q03181 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL10696298 0.86 ALDH1A1 (0.34) KDM4EGLAPLA2G7MAPTALDH1A1
SCHEMBL10696278 0.79 EPAS1 (0.37) MAPTALDH1A1LMNAHPGDMAPK1
SCHEMBL10696364 0.78 EPAS1 (0.36) MAPTALDH1A1HPGDMAPK1NPSR1
SCHEMBL10696732 0.74 TXNRD1 (0.39) KDM4EMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL13731608 0.73 MERTK (0.49) KDM4EMAPTALDH1A1LMNANPC1
SCHEMBL10696366 0.72 RAB9A (0.35) KDM4EGLAMAPTMAOAALDH1A1
SCHEMBL10697439 0.72 MEN1 (0.38) KDM4EMAPTMAOAALDH1A1LMNA
SCHEMBL10698024 0.71 THRB (0.38) KDM4EMAPTSMN1; SMN2PPARDTDP1
SCHEMBL10698177 0.71 TDP1 (0.36) MAPTALDH1A1HPGDMAPK1NPSR1
SCHEMBL2746717 0.69 ALDH1A1 (0.51) KDM4EGLAMAPTALDH1A1LMNA

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
EP-0272533-A2 Substituted phenoxypyridines BAYER AG (DE) 1988-06-29 EP disclosed