SCHEMBL8553880

SCHEMBL8553880

O=C1COc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.64
TSHR P16473 2/20 0.57
DRD4 P21917 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
GFER P55789 1/20 0.49
SLC5A1 P13866 1/20 0.48
SLC5A2 P31639 1/20 0.48
P2RX4 Q99571 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
APP P05067 2/20 0.45
MAPT P10636 2/20 0.45
SNCA P37840 2/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL8624433 0.87 SLC5A1 (0.51) L3MBTL1TSHRSLC5A1SLC5A2ALDH1A1
SCHEMBL27376595 0.85 CASP1 (0.56) L3MBTL1TSHRSLC5A1SLC5A2KMT2A
SCHEMBL31490076 0.85 SLC5A1 (0.54) L3MBTL1TSHRSLC5A1SLC5A2KMT2A
SCHEMBL10048208 0.81 SLC5A1 (0.65) L3MBTL1DRD4SLC5A1SLC5A2KMT2A
SCHEMBL31667554 0.81 L3MBTL1 (0.70) L3MBTL1TSHRDRD4KMT2AMEN1
SCHEMBL8554427 0.80 TSHR (0.64) L3MBTL1TSHRDRD4SIRT2SIRT1
SCHEMBL9309020 0.79 POLB (0.69) DRD4GFERKMT2AMEN1ALDH1A1
SCHEMBL4506469 0.78 ALDH1A1 (0.69) L3MBTL1TSHRDRD4KMT2AMEN1
SCHEMBL8554715 0.78 L3MBTL1 (1.00) L3MBTL1TSHRDRD4KMT2AMEN1
SCHEMBL6471926 0.78 PIK3CG (0.48) L3MBTL1SLC5A1SLC5A2ALDH1A1

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-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed