SCHEMBL7936558

SCHEMBL7936558

Cn1nc(-c2cc(Oc3ccccc3[N+](=O)[O-])c(Cl)cc2F)c(Cl)c1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.36
HSPB1 P04792 3/20 0.35
ALDH1A1 P00352 3/20 0.35
PIN1 Q13526 1/20 0.35
MAPK1 P28482 2/20 0.33
HSD11B1 P28845 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
EGFR P00533 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL7938630 0.89 ALDH1A1 (0.42) LMNAATML3MBTL1GAAALDH1A1
SCHEMBL6975701 0.86 SCN9A (0.30)
SCHEMBL7891112 0.84 F2 (0.31)
SCHEMBL7938558 0.84 ATM (0.44) LMNASMN1; SMN2HTTATMGAA
SCHEMBL7935693 0.83 BRD4 (0.37) SMN1; SMN2
SCHEMBL7749240 0.81 ESPL1 (0.30)
SCHEMBL7887336 0.79 MAPT (0.34) MAPK1
SCHEMBL6295368 0.78 PDE10A (0.33) SMN1; SMN2HSP90AA1EGFR
SCHEMBL9080401 0.76 L3MBTL1 (0.37) LMNASMN1; SMN2HTTATML3MBTL1
SCHEMBL8303323 0.76 VCAM1 (0.35) HPGDPIN1TDP1POLB

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-6303543-B1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-10-16 US disclosed
US-6121201-A HETEROARYL SUBSTITUTED HALO-PYRAZOLE SUBSTITUTED DIARYL ETHERS OR THIOETHERS ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-09-19 US disclosed