SCHEMBL7895508

SCHEMBL7895508

COCOc1cc(O)c(/C=N/O)c(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
LMNA P02545 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TLR9 Q9NR96 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HSPB1 P04792 1/20 0.37
MAOB P27338 1/20 0.37
PTGS2 P35354 1/20 0.36
SLC2A1 P11166 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL657236 0.91 MAPT (0.49) MAPTRAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL657237 0.91 MAPT (0.49) MAPTRAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL7892400 0.88 MAPT (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL656896 0.80 MAPT (0.50) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL7885636 0.79 MAPT (0.47) MAPTSMN1; SMN2MEN1KMT2AHSP90AA1
SCHEMBL655184 0.78 MAPT (0.49) MAPTRAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL655185 0.78 MAPT (0.49) MAPTRAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL656955 0.74 MAPT (0.52) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL28017989 0.74 ALDH1A1 (0.51) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL7891959 0.72 MAPT (0.41) MAPTSMN1; SMN2LMNAMEN1KMT2A

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-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 WO disclosed