SCHEMBL7471540

SCHEMBL7471540

O=C1OCCC1Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CASP6 P55212 1/20 0.32
PKM P14618 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
BCL6 P41182 1/20 0.32

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
SCHEMBL7468663 0.80 POLB (0.46) POLBTDP1ALDH1A1TSHRMAPK1
SCHEMBL7472535 0.80 ALDH1A1 (0.45) POLBTDP1ALDH1A1TSHRMAPK1
SCHEMBL11250546 0.75 ALDH1A1 (0.42) POLBTDP1ALDH1A1MAPK1MEN1
SCHEMBL5221514 0.70 TDP1 (0.47) POLBTDP1ALDH1A1MEN1KMT2A
SCHEMBL7472280 0.69 TDP1 (0.46) POLBTDP1ALDH1A1MEN1KMT2A
SCHEMBL18371960 0.69 POLB (0.46) POLBTDP1ALDH1A1TSHRMAPK1
SCHEMBL17049183 0.69 POLB (0.46) POLBTDP1ALDH1A1TSHRMAPK1
SCHEMBL7476840 0.69 POLB (0.46) POLBTDP1ALDH1A1TSHRMAPK1
SCHEMBL18371959 0.69 POLB (0.46) POLBTDP1ALDH1A1TSHRMAPK1
SCHEMBL17049181 0.69 POLB (0.46) POLBTDP1ALDH1A1TSHRMAPK1

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 3 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
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed