SCHEMBL11088745

SCHEMBL11088745

CC1C(c2ccc([N+](=O)[O-])cc2)CC(=O)N1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ LMNA P02545 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ CRHBP P24387 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ACHE P22303 1/20 0.39

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
SCHEMBL11092704 0.78 HSD17B2 (0.51) LMNAALDH1A1SMN1; SMN2
SCHEMBL11090155 0.78 CYP19A1 (0.50) —
SCHEMBL6779158 0.74 ALDH1A1 (0.53) KMT2ALMNAALDH1A1SMN1; SMN2GAA
SCHEMBL6779114 0.74 ALDH1A1 (0.53) KMT2ALMNAALDH1A1SMN1; SMN2GAA
SCHEMBL1858226 0.73 ALDH1A1 (0.49) KMT2AMEN1LMNARECQLALDH1A1
SCHEMBL11572125 0.72 RECQL (0.49) KMT2AMEN1LMNARECQLALDH1A1
SCHEMBL23727648 0.72 SIRT6 (0.42) KMT2AMEN1LMNARECQLALDH1A1
SCHEMBL28498083 0.70 GRIA4 (0.41) KMT2AMEN1LMNARECQLALDH1A1
SCHEMBL4191103 0.70 HRH3 (0.47) KMT2AMEN1LMNAALDH1A1SIRT6
SCHEMBL15744018 0.68 HSD17B2 (0.42) GAA

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
US-4443616-A Production of 3-pyrrolin-2-ones THE PURDUE FREDERICK COMPANY (US) 1984-04-17 — — US disclosed
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