SCHEMBL7475333

SCHEMBL7475333

CN1C(=O)C(CCO)Oc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 5/20 0.46
GAA P10253 2/20 0.44
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
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.39
BRD4 O60885 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PNMT P11086 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
CHRNB4 P30926 4/20 0.36

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
SCHEMBL17434616 0.86 ALDH1A1 (0.42) KMT2AALDH1A1MEN1GAACASP1
SCHEMBL7468750 0.81 CASP3 (0.44) KMT2AALDH1A1MEN1GAACASP1
SCHEMBL7474357 0.80 CASP1 (0.53) KMT2AALDH1A1MEN1CASP1CASP3
SCHEMBL8124801 0.79 CASP1 (0.48) KMT2AALDH1A1MEN1GAACASP1
SCHEMBL7470312 0.79 ALDH1A1 (0.48) KMT2AALDH1A1MEN1CASP1CASP3
SCHEMBL31444744 0.79 ATM (0.45) KMT2AALDH1A1MEN1MAPT
SCHEMBL14507328 0.77 PPARG (0.42) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL31444777 0.77 ALDH1A1 (0.40) KMT2AALDH1A1MEN1GAAMAPT
SCHEMBL7471383 0.77 ACHE (0.47) KMT2AALDH1A1MEN1GAACASP1
SCHEMBL7471975 0.77 HTT (0.47) KMT2AALDH1A1MEN1GAACASP1

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