SCHEMBL7465903

SCHEMBL7465903

Cc1cccc(OC2CCOC2=O)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.41
POLB P06746 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL10978870 0.82 TDP1 (0.45) ALDH1A1TDP1TSHRPOLBSMN1; SMN2
SCHEMBL18371959 0.74 POLB (0.46) ALDH1A1TDP1TSHRPOLBSMN1; SMN2
SCHEMBL7472335 0.74 POLB (0.46) ALDH1A1TDP1TSHRPOLBTP53
SCHEMBL7472535 0.72 ALDH1A1 (0.45) ALDH1A1TDP1TSHRPOLBHPGD
SCHEMBL1616513 0.70 ALDH1A1 (0.69) ALDH1A1TDP1TSHRPOLBSMN1; SMN2
SCHEMBL7472383 0.70 POLB (0.45) ALDH1A1TDP1POLBSMN1; SMN2KDM4E
SCHEMBL7473306 0.70 POLB (0.45) ALDH1A1TDP1TSHRPOLBSMN1; SMN2
SCHEMBL7479289 0.70 POLB (0.45) ALDH1A1TDP1TSHRPOLBSMN1; SMN2
SCHEMBL4495805 0.70 POLB (0.46) ALDH1A1TDP1POLBSMN1; SMN2
SCHEMBL17049183 0.69 POLB (0.46) ALDH1A1TDP1TSHRPOLBSMN1; SMN2

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