SCHEMBL8340278

SCHEMBL8340278

Cc1nn(C)c(CC(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.51
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 3/20 0.41
BLM P54132 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL14108166 0.80 PKM (0.58) PKMMAPTLMNACYP1A2POLB
SCHEMBL2373276 0.78 PKM (0.61) PKMMAPTLMNACYP1A2POLB
SCHEMBL1609142 0.75 MAPT (0.61) PKMMAPTLMNACYP1A2POLB
SCHEMBL8340619 0.74 SMN1; SMN2 (0.44) PKMMAPTCYP1A2POLBHTT
SCHEMBL4360389 0.74 PTGDR2 (0.38) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8854253 0.74 L3MBTL1 (0.38) MAPTLMNAHTTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11271192 0.73 MAPT (0.59) PKMMAPTLMNACYP1A2POLB
SCHEMBL4352330 0.73 KDM4E (0.49) MAPTLMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL10922454 0.72 PKM (0.53) PKMMAPTLMNACYP1A2POLB
SCHEMBL2386652 0.71 PKM (0.66) PKMMAPTLMNACYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5885935-A Sulfonamide herbicides AGREVO UK LIMITED (GB) 1999-03-23 US disclosed
EP-0625970-B1 SULFONAMIDE HERBICIDES AGREVO UK LTD (GB) 1997-09-17 EP disclosed
US-5559081-A Sulfonamide herbicides AGREVO UK LIMITED (GB) 1996-09-24 US disclosed
EP-0625970-A1 SULFONAMIDE HERBICIDES. AGREVO UK LTD (GB) 1994-11-30 EP disclosed
WO-1993009099-A2 SULFONAMIDE HERBICIDES AGREVO UK LIMITED (GB) 1993-05-13 WO disclosed