SCHEMBL10458181

SCHEMBL10458181

O=Cc1cccc([N+](=O)[O-])c1OCCF

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.50
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
RECQL P46063 2/20 0.45
MAPT P10636 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
HTR1A P08908 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
HSPB1 P04792 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL14228209 0.84 ERN1 (0.49) ERN1NPC1RAB9ARECQLMAPT
SCHEMBL8760999 0.82 ERN1 (0.47) ERN1NPC1RAB9ARECQLMAPT
SCHEMBL8581084 0.79 ERN1 (0.50) ERN1NPC1RAB9ARECQLMAPT
SCHEMBL4585380 0.78 NPC1 (0.53) ERN1NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL4164827 0.78 ERN1 (0.53) ERN1NPC1RAB9ARECQLMAPT
SCHEMBL27295142 0.78 ERN1 (0.49) ERN1NPC1RAB9ARECQLMAPT
SCHEMBL7811547 0.78 HTR1A (0.49) ERN1NPC1RAB9ARECQLMAPT
SCHEMBL4164822 0.78 ERN1 (0.53) ERN1NPC1RAB9ARECQLMAPT
SCHEMBL28340296 0.78 ERN1 (0.49) ERN1NPC1RAB9ARECQLMAPT
SCHEMBL5816489 0.76 ERN1 (0.57) ERN1NPC1RAB9ARECQLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4960884-A Insecticides, nematocides, pesticides and miticides FMC CORPORATION (US) 1990-10-02 US disclosed