SCHEMBL8948525

SCHEMBL8948525

COc1ccc([N+](=O)[O-])c2c1CC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SIRT6 Q8N6T7 1/20 0.37
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36
TUBA1C Q9BQE3 2/20 0.36
TUBB6 Q9BUF5 2/20 0.36

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
SCHEMBL18181623 0.82 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL10963329 0.81 ALDH1A1 (0.47) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL8948698 0.79 MAPT (0.42) ALDH1A1TDP1LMNAL3MBTL1MEN1
SCHEMBL8948739 0.79 TDP1 (0.42) ALDH1A1TDP1MEN1KMT2AHSD17B10
SCHEMBL10320899 0.79 SIRT6 (0.42) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL8948789 0.75 ADRA1A (0.39) ALDH1A1TDP1LMNAKMT2AKDM4E
SCHEMBL10989535 0.74 ALDH1A1 (0.44) ALDH1A1TDP1LMNAL3MBTL1MEN1
SCHEMBL3598687 0.74 FFAR4 (0.40) ALDH1A1TDP1LMNAL3MBTL1KMT2A
SCHEMBL8940054 0.72 FFAR4 (0.44) ALDH1A1TDP1LMNAKMT2AKDM4E
SCHEMBL8939971 0.71 FFAR4 (0.41) ALDH1A1LMNAKMT2AKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed