SCHEMBL8553215

SCHEMBL8553215

O=C1COc2ccc([N+](=O)[O-])cc2N1Cc1ccccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
SLC5A1 P13866 1/20 0.51
SLC5A2 P31639 1/20 0.51
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 5/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2D6 P10635 1/20 0.44
LMNA P02545 2/20 0.43
KCNH2 Q12809 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BRD4 O60885 1/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8557086 0.91 TSHR (0.67) TSHRSLC5A1SLC5A2MEN1KMT2A
SCHEMBL31490076 0.86 SLC5A1 (0.54) TSHRSLC5A1SLC5A2MEN1KMT2A
SCHEMBL10048208 0.83 SLC5A1 (0.65) SLC5A1SLC5A2MEN1KMT2AL3MBTL1
SCHEMBL10374449 0.81 SLC5A1 (0.50) TSHRSLC5A1SLC5A2MEN1KMT2A
SCHEMBL10374403 0.78 SLC5A1 (0.48) TSHRSLC5A1SLC5A2MEN1KMT2A
SCHEMBL8878727 0.78 SLC5A1 (0.46) TSHRSLC5A1SLC5A2MEN1KMT2A
SCHEMBL30806430 0.77 CYP1A2 (0.56) TSHRMEN1KMT2AMAPTCYP1A2
SCHEMBL27376612 0.77 CYP1A2 (0.56) TSHRMEN1KMT2AMAPTCYP1A2
SCHEMBL4118904 0.77 KCNH2 (0.48) SLC5A1SLC5A2MEN1KMT2AMAPT
SCHEMBL27376595 0.77 CASP1 (0.56) TSHRSLC5A1SLC5A2MEN1KMT2A

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