SCHEMBL7465868

SCHEMBL7465868

O=C1C(CCO)Oc2cc(F)ccc2N1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
GSK3B P49841 10/20 0.45
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
ADK P55263 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
TSHR P16473 1/20 0.38
TACR1 P25103 2/20 0.38

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
SCHEMBL7471383 0.89 ACHE (0.47) ACHEGSK3BSIRT2SIRT1HTT
SCHEMBL7471975 0.78 HTT (0.47) HTTALDH1A1MAPTMAPK1CASP1
SCHEMBL7474357 0.76 CASP1 (0.53) ACHESIRT2SIRT1HTTALDH1A1
SCHEMBL7465749 0.75 GSK3B (0.48) GSK3BADKALDH1A1MAPTMAPK1
SCHEMBL7472634 0.74 ALDH1A1 (0.46) SIRT2SIRT1HTTALDH1A1MAPK1
SCHEMBL7468750 0.73 CASP3 (0.44) SIRT2SIRT1HTTALDH1A1MAPT
SCHEMBL7470312 0.73 ALDH1A1 (0.48) SIRT2SIRT1HTTALDH1A1MAPK1
SCHEMBL7477205 0.73 KMT2A (0.67) GSK3BADKHTTALDH1A1MAPT
SCHEMBL7473595 0.72 SIRT2 (0.50) GSK3BSIRT2SIRT1HTTALDH1A1
SCHEMBL7472270 0.71 ALDH1A1 (0.55) SIRT2SIRT1HTTALDH1A1MAPK1

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