SCHEMBL3915360

SCHEMBL3915360

CC(C)(C)[N+]1(C(=O)[O-])CC[C@H](CNC(=O)C(F)(F)F)C1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
GNRHR P30968 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3830768 1.00 NQO2 (0.32) NQO2MTNR1AMTNR1BGNRHRALDH1A1
SCHEMBL3824850 0.75 PLG (0.32)
SCHEMBL2299897 0.72
SCHEMBL789490 0.70 HDAC3 (0.42) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL9431190 0.70 TDP1 (0.52) NQO2MTNR1AMTNR1BGNRHRALDH1A1
SCHEMBL3425719 0.68
SCHEMBL1693080 0.68 MEN1 (0.33) MEN1KMT2A
SCHEMBL1692713 0.68 MEN1 (0.33) MEN1KMT2A
SCHEMBL3651917 0.68 LMNA (0.32)
SCHEMBL3648749 0.68 LMNA (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029612-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS Glaxo Group Limited (GB) 2009-03-04 EP disclosed
WO-2008006648-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed