SCHEMBL9703068

SCHEMBL9703068

O=[N+]([O-])c1ccccc1Oc1ccc(-c2ccc3ccccc3c2-c2ccc(Oc3ccccc3[N+](=O)[O-])cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LCK P06239 1/20 0.43
KDR P35968 1/20 0.43
TEK Q02763 1/20 0.43
LTA4H P09960 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
PTGES O14684 1/20 0.41
IKBKB O14920 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40
HPRT1 P00492 1/20 0.40
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL10944795 0.76 L3MBTL1 (0.56) ALDH1A1LCKKDRTEKLTA4H
SCHEMBL8486512 0.75 PIN1 (0.55) ALDH1A1LTA4HPTGS1PTGS2HPGD
SCHEMBL9703072 0.73 HSPB1 (0.43) ALDH1A1MAPTGAAPTGESHTT
SCHEMBL20222275 0.73 ALDH1A1 (0.65) ALDH1A1HPGDL3MBTL1MAPTGAA
SCHEMBL238962 0.73 L3MBTL1 (0.62) ALDH1A1LTA4HPTGS1PTGS2HPGD
SCHEMBL10476941 0.73 L3MBTL1 (0.51) ALDH1A1LCKKDRTEKLTA4H
SCHEMBL9390091 0.72 HPGD (0.54) ALDH1A1LTA4HPTGS1PTGS2HPGD
SCHEMBL25747670 0.72 ALDH1A1 (0.46) ALDH1A1LTA4HPTGS1PTGS2HPGD
SCHEMBL6750951 0.72 L3MBTL1 (0.57) ALDH1A1LTA4HPTGS1PTGS2HPGD
SCHEMBL1283885 0.72 HSPB1 (0.67) ALDH1A1LTA4HPTGS1PTGS2HPGD

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
WO-1992012120-A1 BIS(AMINOPHENOXY)NAPHTHALENES AND BIS(NITROPHENOXY)NAPHTHALENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-23 WO disclosed