SCHEMBL21608415

SCHEMBL21608415

COc1ccc(CNc2cccc([N+](=O)[O-])c2C=N)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
MAPT P10636 5/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
HPGD P15428 1/20 0.50
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
PTPN1 P18031 1/20 0.44
POLB P06746 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL7318993 0.83 MAPT (0.68) NPC1MAPTKMT2AMEN1CRHBP
SCHEMBL31382898 0.81 NPC1 (0.59) NPC1MAPTKMT2AMEN1CRHBP
SCHEMBL9885183 0.81 MAPT (0.48) NPC1MAPTKMT2AMEN1ALDH1A1
SCHEMBL4309629 0.76 MAPT (0.62) NPC1MAPTKMT2AMEN1CRHBP
SCHEMBL23579367 0.74 NPC1 (0.54) NPC1MAPTKMT2AMEN1CRHBP
SCHEMBL31520383 0.74 NPC1 (0.56) NPC1MAPTKMT2AMEN1CRHBP
SCHEMBL31520385 0.74 NPC1 (0.56) NPC1MAPTKMT2AMEN1CRHBP
SCHEMBL25641831 0.73 TDP1 (0.44) NPC1MAPTKMT2AMEN1ALDH1A1
SCHEMBL3959791 0.73 MAPT (0.53) NPC1MAPTKMT2AMEN1CRHBP
SCHEMBL19790245 0.73 KAT2B (0.38) NPC1MAPTKMT2AMEN1ALDH1A1

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
WO-2019243535-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed