SCHEMBL10570971

SCHEMBL10570971

O=C1CC2CCSc3ccccc3C2=NN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
KMT2A Q03164 9/20 0.45
MEN1 O00255 7/20 0.45
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SCN2A Q99250 1/20 0.39
KDM4E B2RXH2 3/20 0.38
BLM P54132 1/20 0.38
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX12 P18054 1/20 0.36
POLB P06746 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL7292014 0.88 KMT2A (0.41) MAPTKMT2AMEN1GAANPSR1
SCHEMBL7294604 0.87 PDE4A (0.39) MAPTKMT2AMEN1GAANPSR1
SCHEMBL7292065 0.86 HTT (0.37) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL7291459 0.86 CNR2 (0.36) MAPTSMN1; SMN2
SCHEMBL7289330 0.85 MIF (0.34) KDM4EPOLB
SCHEMBL7287387 0.85 GAA (0.34) MAPTKMT2AMEN1GAAL3MBTL1
SCHEMBL10569584 0.85 KDM4E (0.38) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL7286210 0.85 GABRP (0.41) MAPTKMT2AMEN1NPSR1L3MBTL1
SCHEMBL7286216 0.82 IDO1 (0.34) MAPTPOLBIDO1TDO2HSP90AA1
SCHEMBL7290542 0.82 MAPT (0.41) MAPTKMT2AMEN1GAAALDH1A1

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-4849421-A SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-07-18 US disclosed