SCHEMBL8878469

SCHEMBL8878469

CCOC(=O)[C@@H](S)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
MAPK1 P28482 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
KMT2A Q03164 4/20 0.50
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 5/20 0.48
GAA P10253 1/20 0.48
MITF O75030 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL30080552 0.86 MAPT (0.54) MAPTMAPK1SMN1; SMN2TDP1KMT2A
SCHEMBL546884 0.86 MAPT (0.54) MAPTMAPK1SMN1; SMN2TDP1KMT2A
SCHEMBL8443380 0.86 MAPT (0.54) MAPTMAPK1SMN1; SMN2TDP1KMT2A
SCHEMBL492620 0.83 MAPT (0.54) MAPTMAPK1SMN1; SMN2TDP1KMT2A
SCHEMBL31715257 0.82 MAPT (0.50) MAPTMAPK1SMN1; SMN2TDP1KMT2A
SCHEMBL11228936 0.80 ALDH1A1 (0.50) MAPTMAPK1SMN1; SMN2TDP1KMT2A
SCHEMBL1625485 0.76 ALDH1A1 (0.51) MAPTMAPK1SMN1; SMN2TDP1KMT2A
SCHEMBL5802973 0.76 MAPT (0.52) MAPTMAPK1SMN1; SMN2TDP1KMT2A
SCHEMBL7828183 0.76 ALDH1A1 (0.54) MAPTMAPK1SMN1; SMN2TDP1KMT2A
SCHEMBL11873046 0.75 TDP1 (0.46) MAPTMAPK1SMN1; SMN2TDP1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5631209-A ALGICIDES ROHM AND HAAS COMPANY (US) 1997-05-20 US disclosed
US-5502027-A ALGICIDES ROHM AND HAAS COMPANY (US) 1996-03-26 US disclosed
EP-0415642-B1 Glutarimides ROHM & HAAS (US) 1995-12-06 EP disclosed
US-5393735-A N-(halo-oxy-)phenyl substituted cyclic imides ROHM AND HAAS COMPANY (US) 1995-02-28 US disclosed
EP-0415641-B1 Substituted glutaramic acids and derivatives ROHM & HAAS (US) 1994-01-19 EP disclosed
US-5238908-A HERBICIDAL GLUTARAMIC ACIDS AND DERIVATIVES ROHM AND HAAS COMPANY (US) 1993-08-24 US disclosed
EP-0415641-A1 Substituted glutaramic acids and derivatives ROHM AND HAAS COMPANY (US) 1991-03-06 EP disclosed
EP-0415642-A1 Glutarimides ROHM AND HAAS COMPANY (US) 1991-03-06 EP disclosed