SCHEMBL7473595

SCHEMBL7473595

O=C1C(CCO)Oc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 2/20 0.47
GFER P55789 1/20 0.45
APP P05067 4/20 0.43
MAPT P10636 4/20 0.43
SNCA P37840 4/20 0.43
HTT P42858 1/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP4 P49662 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7468750 0.90 CASP3 (0.44) SIRT2SIRT1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7472270 0.88 ALDH1A1 (0.55) SIRT2SIRT1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7474357 0.88 CASP1 (0.53) SIRT2SIRT1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7476860 0.85 TSHR (0.64) ALDH1A1SMN1; SMN2TSHRKMT2AHTT
SCHEMBL7473291 0.84 TSHR (0.54) ALDH1A1SMN1; SMN2TSHRKMT2AHTT
SCHEMBL7472920 0.83 TSHR (0.56) ALDH1A1SMN1; SMN2TSHRKMT2AHTT
SCHEMBL7470312 0.83 ALDH1A1 (0.48) SIRT2SIRT1ALDH1A1TSHRKMT2A
SCHEMBL7472359 0.81 CASP1 (0.43) SIRT2SIRT1ALDH1A1SMN1; SMN2TSHR
SCHEMBL189949 0.81 MAPT (0.44) ALDH1A1SMN1; SMN2TSHRKMT2AAPP
SCHEMBL7472305 0.81 TSHR (0.53) ALDH1A1SMN1; SMN2TSHRKMT2AHTT

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