SCHEMBL7938558

SCHEMBL7938558

Cn1nc(-c2cc(Oc3ccc([N+](=O)[O-])cc3)c(Cl)cc2F)c(Cl)c1OC(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
HSPB1 P04792 3/20 0.39
PDE7A Q13946 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 4/20 0.38
HTT P42858 4/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 2/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL7935693 0.85 BRD4 (0.37) SMN1; SMN2
SCHEMBL6975701 0.85 SCN9A (0.30)
SCHEMBL7936558 0.84 HPGD (0.41) ATMHSPB1MEN1KMT2AHTT
SCHEMBL7164566 0.84 ATM (0.48) ATMHSPB1PDE7AMEN1KMT2A
SCHEMBL9080401 0.83 L3MBTL1 (0.37) ATMMEN1KMT2AMAPTHTT
SCHEMBL7938630 0.82 ALDH1A1 (0.42) ATMMEN1KMT2AMAPTLMNA
SCHEMBL7891112 0.81 F2 (0.31)
SCHEMBL6295368 0.81 PDE10A (0.33) MAPTSMN1; SMN2RAB9ANPC1EGFR
SCHEMBL7749240 0.78 ESPL1 (0.30)
SCHEMBL8471514 0.78 L3MBTL1 (0.41) ATMMEN1KMT2AMAPTHTT

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