SCHEMBL28055599

SCHEMBL28055599

O=C(c1ccccc1)c1ccc([N+](=O)[O-])c(Oc2ccccc2C(=O)c2ccc([N+](=O)[O-])c(O)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
HPSE Q9Y251 1/20 0.49
VCAM1 P19320 1/20 0.48
F10 P00742 1/20 0.46
TTR P02766 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GPR35 Q9HC97 2/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL5595136 0.83 MAPK1 (0.69) MAPK1VCAM1TTRALDH1A1KDM4E
SCHEMBL29186599 0.82 ALDH1A1 (0.55) MAPK1HPSEVCAM1F10ALDH1A1
SCHEMBL9658575 0.78 HSPB1 (0.54) MAPK1HPSEVCAM1TTRALDH1A1
SCHEMBL7491761 0.77 MAPK1 (0.61) MAPK1VCAM1TTRMEN1KMT2A
SCHEMBL5844702 0.73 TTR (0.63) MAPK1TTRALDH1A1KDM4EMEN1
SCHEMBL9282306 0.73 ELANE (0.61) MAPK1ALDH1A1KDM4ELMNACYP3A4
SCHEMBL8628106 0.73 HPSE (0.56) HPSEF10KDM4EMEN1KMT2A
SCHEMBL29186597 0.73 ALDH1A1 (0.50) MAPK1HPSEVCAM1F10ALDH1A1
SCHEMBL28107004 0.73 MAPK1 (0.58) MAPK1HPSEVCAM1TTRALDH1A1
SCHEMBL867944 0.72 VCAM1 (0.69) MAPK1VCAM1TTRALDH1A1GPR35

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-105379718-A Compound weeding composition containing clodinafop-propargyl and oxyfluorfen and application thereof NANJING HUAZHOU PHARMACEUTICAL 2016-03-09 CN disclosed