SCHEMBL7472383

SCHEMBL7472383

COc1ccc(OC2CCOC2=O)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 8/20 0.44
MAPK1 P28482 3/20 0.43
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 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
SCHEMBL7479289 0.90 POLB (0.45) POLBTDP1ALDH1A1MAPK1KDM4E
SCHEMBL18371959 0.85 POLB (0.46) POLBTDP1ALDH1A1MAPK1RAB9A
SCHEMBL7476840 0.85 POLB (0.46) POLBTDP1ALDH1A1MAPK1RAB9A
SCHEMBL18371960 0.82 POLB (0.46) POLBTDP1ALDH1A1MAPK1KDM4E
SCHEMBL17049183 0.82 POLB (0.46) POLBTDP1ALDH1A1MAPK1KDM4E
SCHEMBL17049181 0.82 POLB (0.46) POLBTDP1ALDH1A1MAPK1KDM4E
SCHEMBL7468663 0.82 POLB (0.46) POLBTDP1ALDH1A1MAPK1RAB9A
SCHEMBL7472334 0.81 POLB (0.60) POLBTDP1ALDH1A1RAB9AMAPT
SCHEMBL19055417 0.81 POLB (0.60) POLBTDP1ALDH1A1RAB9AMAPT
SCHEMBL7473306 0.81 POLB (0.45) POLBTDP1ALDH1A1MAPK1KDM4E

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