SCHEMBL13102445

SCHEMBL13102445

CC(=O)n1cnc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
MITF O75030 1/20 0.37
PKM P14618 2/20 0.36

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
SCHEMBL22616127 0.81 L3MBTL1 (0.41) L3MBTL1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL12781909 0.77 L3MBTL1 (0.46) L3MBTL1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL6081780 0.74 L3MBTL1 (0.40) L3MBTL1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL19698979 0.74 L3MBTL1 (0.59) L3MBTL1ALDH1A1TAAR1MITFPKM
SCHEMBL23389282 0.74 HTR2A (0.48) L3MBTL1HTR2AHTR2CHTR2BTAAR1
SCHEMBL11243718 0.74 L3MBTL1 (0.35) L3MBTL1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL11243719 0.74 L3MBTL1 (0.35) L3MBTL1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL23389332 0.74 HTR2A (0.48) L3MBTL1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL174098 0.72
SCHEMBL7671261 0.72 TAAR1 (0.43) L3MBTL1HTR2AHTR2CHTR2BALDH1A1

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-20100273116-A1 SILVER HALIDE PHOTOSENSITIVE MATERIAL FUJIFILM CORPORATION (JP) 2010-10-28 US disclosed