SCHEMBL8554427

SCHEMBL8554427

O=C1COc2ccccc2N1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
GSK3B P49841 10/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
ACHE P22303 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD4 P21917 1/20 0.45
GRM5 P41594 1/20 0.44

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
SCHEMBL8553880 0.80 L3MBTL1 (0.64) TSHRL3MBTL1SIRT2SIRT1MEN1
SCHEMBL5338561 0.79 TSHR (0.71) TSHRL3MBTL1MEN1KMT2ACHRM1
SCHEMBL28663777 0.76 GSK3B (0.53) TSHRGSK3BACHEMEN1KMT2A
SCHEMBL13150794 0.75 TSHR (0.66) TSHRL3MBTL1SIRT2SIRT1MEN1
SCHEMBL8557086 0.74 TSHR (0.67) TSHRL3MBTL1MEN1KMT2A
SCHEMBL8553215 0.74 TSHR (0.67) TSHRL3MBTL1MEN1KMT2A
SCHEMBL7358743 0.72 ALDH1A1 (0.61) TSHRL3MBTL1MEN1KMT2ADRD4
SCHEMBL7114927 0.71 ACHE (0.56) TSHRGSK3BACHEMEN1KMT2A
SCHEMBL474614 0.71 TSHR (0.60) TSHRL3MBTL1MEN1KMT2A
SCHEMBL18954615 0.70 ACHE (0.73) GSK3BACHECHRM1

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