SCHEMBL7938630

SCHEMBL7938630

Cn1nc(-c2cc(Oc3ncccc3[N+](=O)[O-])c(Cl)cc2F)c(Cl)c1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 6/20 0.39
GFER P55789 1/20 0.39
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LTA4H P09960 1/20 0.35
GAA P10253 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 2/20 0.33
PIN1 Q13526 2/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 3/20 0.33
PPARG P37231 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
RXRA P19793 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
DRD1 P21728 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
SCHEMBL7936558 0.89 HPGD (0.41) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL6975701 0.83 SCN9A (0.30)
SCHEMBL7891112 0.82 F2 (0.31)
SCHEMBL7938558 0.82 ATM (0.44) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7749240 0.81 ESPL1 (0.30)
SCHEMBL7935693 0.79 BRD4 (0.37)
SCHEMBL7887336 0.77 MAPT (0.34) MAPTMAPK1
SCHEMBL6295368 0.76 PDE10A (0.33) MAPTNPC1RAB9A
SCHEMBL7936544 0.74 RXRA (0.33) ALDH1A1MAPTNPC1RAB9ARXRA
SCHEMBL9080401 0.74 L3MBTL1 (0.37) ALDH1A1MAPTMEN1KMT2AGAA

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