SCHEMBL7549531

SCHEMBL7549531

COC(=O)Oc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
ATM Q13315 1/20 0.49
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAPGEF3 O95398 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C1 Q04828 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 5/20 0.39
NPC1 O15118 2/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL27357985 0.84 ATM (0.51) TDP1ATMRAB9AMEN1KMT2A
SCHEMBL30453750 0.83 ATM (0.53) TDP1ATMRAB9AMEN1KMT2A
SCHEMBL4636157 0.83 ATM (0.53) TDP1ATMRAB9AMEN1KMT2A
SCHEMBL25242510 0.81 TDP1 (0.51) TDP1ATMRAB9AMEN1KMT2A
SCHEMBL6036166 0.81 ELANE (0.47) TDP1ATMRAB9AMEN1KMT2A
SCHEMBL6520 0.80 TDP1 (0.58) TDP1ATMRAB9AMEN1KMT2A
SCHEMBL29445159 0.80 TDP1 (0.58) TDP1ATMRAB9AMEN1KMT2A
SCHEMBL9369172 0.80 TDP1 (0.44) TDP1ATMRAB9AMEN1KMT2A
SCHEMBL14015561 0.80 RAB9A (0.44) TDP1ATMRAB9AMEN1KMT2A
SCHEMBL11124304 0.80 MAPT (0.48) TDP1RAB9AMEN1KMT2ASMN1; 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-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP disclosed
CN-1073097-C Aniline derivatives having herbicidal activity their prepn. and their use SANKYO CO (JP) 2001-10-17 CN disclosed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed
CN-1176962-A Aniline derivatives having herbicidal activity their prepn. and their use SANKYO CO (JP) 1998-03-25 CN disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed