SCHEMBL9326313

SCHEMBL9326313

O=C(NC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1F)NC(=O)c1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.53
KMT2A Q03164 9/20 0.53
MAPT P10636 8/20 0.53
NPC1 O15118 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 6/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HSP90AA1 P07900 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
RORC P51449 1/20 0.45
PDE7A Q13946 1/20 0.44
PYGL P06737 3/20 0.44
GPR55 Q9Y2T6 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9325616 0.83 MEN1 (0.51) MEN1KMT2AMAPTUSP2ALOX15
SCHEMBL9326331 0.83 MEN1 (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4682865 0.81 MEN1 (0.58) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL4682855 0.81 MEN1 (0.58) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL8657600 0.81 MEN1 (0.52) MEN1KMT2AMAPTNPC1MAPK1
Flufenoxuron SCHEMBL27798 0.81 MEN1 (0.52) MEN1KMT2AMAPTUSP2ALOX15
Flufenoxuron SCHEMBL29413952 0.81 MEN1 (0.52) MEN1KMT2AMAPTUSP2ALOX15
SCHEMBL8540668 0.81 MEN1 (0.49) MEN1KMT2AMAPTNPC1MAPK1
Flufenoxuron SCHEMBL8407576 0.81 MEN1 (0.52) MEN1KMT2AMAPTUSP2ALOX15
SCHEMBL8660336 0.80 MAPT (0.47) MEN1KMT2AMAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375069-B1 Benzamide compounds, their preparation and their use as pesticides SHELL INT RESEARCH (NL) 1994-03-09 EP disclosed
US-5155135-A Insecticides, miticides SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ, B.V. (NL) 1992-10-13 US disclosed
EP-0375069-A1 Benzamide compounds, their preparation and their use as pesticides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-06-27 EP disclosed