SCHEMBL9703072

SCHEMBL9703072

O=[N+]([O-])c1ccc(Oc2ccccc2-c2ccc3ccccc3c2-c2ccccc2Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 3/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 2/20 0.40
DNMT1 P26358 1/20 0.40
EIF4A1 P60842 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX5 P09917 2/20 0.39
PTGES O14684 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL9087468 0.83 HSPB1 (0.59) HSPB1MEN1KMT2ARXFP1LMNA
SCHEMBL347599 0.81 HSPB1 (0.53) HSPB1MEN1KMT2ARXFP1LMNA
SCHEMBL9703810 0.77 HSPB1 (0.48) HSPB1MEN1KMT2ARXFP1LMNA
SCHEMBL11407398 0.75 HSPB1 (0.55) HSPB1MEN1KMT2ALMNARAB9A
SCHEMBL7632959 0.75 HSPB1 (0.66) HSPB1MEN1KMT2ARXFP1LMNA
SCHEMBL8444172 0.75 NCOA1 (0.58) HSPB1MEN1KMT2ALMNARAB9A
SCHEMBL30570728 0.74 HSPB1 (0.57) HSPB1MEN1KMT2ARXFP1LMNA
SCHEMBL9330033 0.74 HSPB1 (0.57) HSPB1MEN1KMT2ARXFP1LMNA
SCHEMBL9703068 0.73 ALDH1A1 (0.44) LMNARAB9AHTTALDH1A1MAPT
SCHEMBL11816088 0.73 PDE7A (0.48) HSPB1MEN1KMT2ALMNAALDH1A1

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