SCHEMBL10580554

SCHEMBL10580554

O=[N+]([O-])c1cc(Cl)ccc1O[PH](=O)Oc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.55
MAPK1 P28482 3/20 0.50
TSHR P16473 1/20 0.50
VCAM1 P19320 1/20 0.47
S1PR4 O95977 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE7B Q9NP56 3/20 0.43
KIF18A Q8NI77 1/20 0.42
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41

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 0.82 PDE7A (0.71) PDE7AMAPK1TSHRVCAM1S1PR4
SCHEMBL29485957 0.79 LMNA (0.59) PDE7AMAPK1TSHRVCAM1S1PR4
SCHEMBL1119379 0.79 LMNA (0.59) PDE7AMAPK1TSHRVCAM1S1PR4
SCHEMBL28115044 0.77 PDE7A (0.56) PDE7AMAPK1TSHRVCAM1S1PR4
SCHEMBL5863266 0.76 PDE7A (0.82) PDE7AMAPK1TSHRKDM4ELMNA
SCHEMBL3654191 0.76 PDE7A (0.63) PDE7AMAPK1TSHRVCAM1S1PR4
SCHEMBL29780387 0.76 PDE7A (0.82) PDE7AMAPK1TSHRKDM4ELMNA
SCHEMBL28486904 0.75 PDE7A (0.54) PDE7AMAPK1TSHRVCAM1S1PR4
SCHEMBL15077840 0.75 PDE7A (0.54) PDE7AMAPK1TSHRVCAM1S1PR4
SCHEMBL19175613 0.75 PDK1 (0.61) PDE7AMAPK1TSHRVCAM1S1PR4

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
US-4859713-A Production of flame-retardant polyols BLOUNT DAVID H (US) 1989-08-22 US disclosed