SCHEMBL6973098

SCHEMBL6973098

COC(=O)C(=O)Cc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
MAPT P10636 6/20 0.43
TDP1 Q9NUW8 3/20 0.42
ATM Q13315 1/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL31235286 1.00 CYP1A2 (0.46) CYP1A2MAPTTDP1ATMPDGFRB
SCHEMBL27719772 0.87 PDGFRB (0.56) CYP1A2MAPTTDP1ATMPDGFRB
SCHEMBL5062383 0.86 MAPT (0.52) CYP1A2MAPTTDP1ATML3MBTL1
SCHEMBL7640146 0.84 CYP1A2 (0.66) CYP1A2MAPTTDP1L3MBTL1ALDH1A1
SCHEMBL6973093 0.84 CYP1A2 (0.49) CYP1A2MAPTTDP1ATML3MBTL1
SCHEMBL6885935 0.83 CYP1A2 (0.46) CYP1A2MAPTPDGFRBFGFR1PDGFRA
SCHEMBL6973315 0.83 NPC1 (0.50) CYP1A2MAPTTDP1ALDH1A1MEN1
SCHEMBL2994232 0.82 CYP1A2 (0.50) CYP1A2MAPTTDP1ATML3MBTL1
SCHEMBL30410464 0.82 CYP1A2 (0.50) CYP1A2MAPTTDP1ATML3MBTL1
SCHEMBL2989578 0.80 CYP1A2 (0.69) CYP1A2MAPTTDP1ATML3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807631-B1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO CO (JP) 2003-03-12 EP disclosed
US-5981752-A Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY, LIMITED (JP) 1999-11-09 US disclosed
US-5773618-A PYRROLOQUINOLINONE DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1998-06-30 US disclosed
EP-0807631-A1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-11-19 EP disclosed