SCHEMBL28115044

SCHEMBL28115044

O=COc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.56
MAPK1 P28482 3/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 2/20 0.51
VCAM1 P19320 2/20 0.49
S1PR4 O95977 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PDE7B Q9NP56 1/20 0.44
KIF18A Q8NI77 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL10387432 0.83 PDE7A (0.71) PDE7AMAPK1TSHRLMNAVCAM1
SCHEMBL1119379 0.80 LMNA (0.59) PDE7AMAPK1TSHRLMNAVCAM1
SCHEMBL29485957 0.80 LMNA (0.59) PDE7AMAPK1TSHRLMNAVCAM1
SCHEMBL96841 0.80 MEN1 (0.56) MAPK1TSHRLMNAKDM4EALDH1A1
SCHEMBL9274565 0.79 PDE7A (0.57) PDE7AMAPK1TSHRLMNAVCAM1
SCHEMBL13643269 0.79 TTR (0.44) MAPK1TSHRLMNAALDH1A1MAPT
SCHEMBL11302992 0.79 TSHR (0.58) MAPK1TSHRLMNAS1PR4KDM4E
SCHEMBL13643270 0.79 ALDH1A1 (0.56) PDE7AMAPK1TSHRLMNAKDM4E
SCHEMBL3654191 0.77 PDE7A (0.63) PDE7AMAPK1TSHRLMNAVCAM1
SCHEMBL10580554 0.77 PDE7A (0.55) PDE7AMAPK1TSHRLMNAVCAM1

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-106187803-A The synthetic method of the amides compound that a kind of phosphorus oxychloride promotes 中国人民解放军63975部队 2016-12-07 CN claimed