SCHEMBL7472335

SCHEMBL7472335

Cc1ccc([N+](=O)[O-])c(OC2CCOC2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 3/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL7476840 0.90 POLB (0.46) POLBTDP1TSHRCYP3A4ALDH1A1
SCHEMBL18371959 0.90 POLB (0.46) POLBTDP1TSHRCYP3A4ALDH1A1
SCHEMBL7479289 0.85 POLB (0.45) POLBTDP1TSHRALDH1A1MEN1
SCHEMBL7472280 0.85 TDP1 (0.46) POLBTDP1ALDH1A1MEN1KMT2A
SCHEMBL5221514 0.81 TDP1 (0.47) POLBTDP1ALDH1A1MEN1KMT2A
SCHEMBL10978870 0.80 TDP1 (0.45) POLBTDP1TSHRALDH1A1MEN1
SCHEMBL9167479 0.78 MEN1 (0.45) TSHRCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL38657724 0.78 TSHR (0.58) TSHRCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL7472383 0.78 POLB (0.45) POLBTDP1ALDH1A1MEN1KMT2A
SCHEMBL17049181 0.77 POLB (0.46) POLBTDP1TSHRALDH1A1MEN1

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