SCHEMBL7473306

SCHEMBL7473306

O=C1OCCC1Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCB1 P08183 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL5221514 0.84 TDP1 (0.47) POLBTDP1ALDH1A1HTTSMN1; SMN2
SCHEMBL7476840 0.82 POLB (0.46) POLBTDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17049181 0.82 POLB (0.46) POLBTDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7468663 0.82 POLB (0.46) POLBTDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17049183 0.82 POLB (0.46) POLBTDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL18371959 0.82 POLB (0.46) POLBTDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL18371960 0.82 POLB (0.46) POLBTDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17049176 0.82 POLB (0.57) POLBTDP1ALDH1A1MAPTHPGD
SCHEMBL17049177 0.82 POLB (0.57) POLBTDP1ALDH1A1MAPTHPGD
SCHEMBL17049175 0.82 POLB (0.57) POLBTDP1ALDH1A1MAPTHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-B1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO MCNEIL PHARM INC (US) 2002-12-18 EP disclosed
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed