SCHEMBL8837656

SCHEMBL8837656

COc1nc(C)nc(OC(=O)Nc2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL11796988 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAHTTRAB9A
SCHEMBL8620552 0.81 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2GAAHTTRAB9A
SCHEMBL9542988 0.79 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2GAAHTTL3MBTL1
SCHEMBL2893620 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAHTTATM
SCHEMBL28548950 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GAAHTTATM
SCHEMBL8673149 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAAHTTATM
SCHEMBL7556781 0.73 HSP90AA1 (0.59) ALDH1A1SMN1; SMN2GAAHTTRAB9A
SCHEMBL31527768 0.71 ATM (0.77) ALDH1A1SMN1; SMN2GAAHTTATM
SCHEMBL22204354 0.71 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2GAAHTTRAB9A
SCHEMBL25533213 0.71 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTTMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597779-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1997-01-28 US disclosed
US-5552368-A Sulfonylureas CIBA-GEIGY CORPORATION (US) 1996-09-03 US disclosed
US-5519148-A CHEMICAL INTERMEDIATES FOR HERBICIDES CIBA-GEIGY CORPORATION (US) 1996-05-21 US disclosed
US-5489695-A PREEMERGENCE, POSTEMERGENCE HERBICIDES CIBA-GEIGY CORPORATION (US) 1996-02-06 US disclosed
US-5412107-A Phenylsulfonylchloride intermediates useful for the preparation of herbicidally active sulfonylureas CIBA-GEIGY CORPORATION (US) 1995-05-02 US disclosed
US-5286709-A Sulfonylureas CIBA-GEIGY CORPORATION (US) 1994-02-15 US disclosed
US-5209771-A Herbicides CIBA-GEIGY CORPORATION (US) 1993-05-11 US disclosed