SCHEMBL10754148

SCHEMBL10754148

COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC2CCC(C1)N2C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
MAPT P10636 4/20 0.56
POLB P06746 2/20 0.56
MAPK1 P28482 2/20 0.56
LMNA P02545 2/20 0.56
BLM P54132 1/20 0.56
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 1/20 0.51
HPGD P15428 1/20 0.50
PYGL P06737 1/20 0.49

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
Hydrochloric Acid SCHEMBL10541838 0.99 KMT2A (0.55) KMT2AMEN1MAPTPOLBMAPK1
SCHEMBL10540979 0.84 TSHR (0.59) KMT2AMEN1MAPTMAPK1L3MBTL1
SCHEMBL10539974 0.84 MAPT (0.56) KMT2AMEN1MAPTPOLBL3MBTL1
Hydrochloric Acid SCHEMBL10538812 0.84 KMT2A (0.51) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL10755457 0.84 KMT2A (0.69) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL10537855 0.84 KMT2A (0.51) KMT2AMEN1MAPTPOLBLMNA
Hydrochloric Acid SCHEMBL10542169 0.83 KMT2A (0.68) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL10541780 0.83 CYP2D6 (0.54) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL10541801 0.83 KMT2A (0.50) KMT2AMEN1MAPTPOLBMAPK1
SCHEMBL10542188 0.81 PYGL (0.48) KMT2AMEN1MAPTPOLBLMNA

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
EP-0235878-A2 Novel compounds BEECHAM GROUP PLC (GB) 1987-09-09 EP claimed