SCHEMBL5795100

SCHEMBL5795100

COc1ccc2c(c1C=O)Oc1ccc([N+](=O)[O-])cc1O2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
HTT P42858 3/20 0.43
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
PTGS2 P35354 2/20 0.42
CYP19A1 P11511 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ERN1 O75460 1/20 0.39
TLR9 Q9NR96 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL5798998 0.84 TDP1 (0.47) TDP1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL5798976 0.81 HTT (0.47) TDP1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL5796814 0.81 HTT (0.47) TDP1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL5798378 0.75 CTSV (0.46) TDP1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL2390951 0.74 ALDH1A1 (0.52) TDP1HTTLMNASMN1; SMN2ALDH1A1
Methanesulfonamide SCHEMBL8012477 0.70 CA2 (0.47) TDP1HTTALDH1A1MAPTPOLB
SCHEMBL1098465 0.70 ERN1 (0.62) TDP1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL31597603 0.70 ERN1 (0.62) TDP1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL5798781 0.70 MEN1 (0.59) TDP1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL3857441 0.69 MEN1 (0.46) TDP1HTTLMNASMN1; SMN2ALDH1A1

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-2006040650-A1 4-METHOXYACRIDINE-1-CARBOXAMIDE DERIVATIVES AND THE PHENAZINE AND OXANTHRENE ANALOGS AS PDE4-INHIBITORS FOR THE TREATMENT OF ASTHMA AND CHRONIC PULMONARY DISEASE (COPD) GLENMARK PHARMACEUTICALS S.A. (US) 2006-04-20 WO disclosed