SCHEMBL7707619

SCHEMBL7707619

Cn1nc(-c2ccc(F)c([N+](=O)[O-])c2)c(Cl)c1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.39
MAPT P10636 8/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 6/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
CHEK2 O96017 3/20 0.36
RPS6KA3 P51812 3/20 0.36
HIF1A Q16665 1/20 0.36
VCAM1 P19320 1/20 0.35
CHEK1 O14757 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MITF O75030 1/20 0.32
CA1 P00915 1/20 0.32
MMP2 P08253 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
SCHEMBL7711809 0.90 L3MBTL1 (0.41) MAPTLMNAALDH1A1POLBMEN1
SCHEMBL8892234 0.89 MAPT (0.38) MAPTLMNAHTTALDH1A1POLB
SCHEMBL7707608 0.85 VCAM1 (0.43) MAPTLMNAALDH1A1POLBMEN1
SCHEMBL7749240 0.83 ESPL1 (0.30)
SCHEMBL8471514 0.82 L3MBTL1 (0.41) MAPTLMNAHTTALDH1A1MEN1
SCHEMBL7891112 0.80 F2 (0.31)
SCHEMBL7510124 0.79 L3MBTL1 (0.40) MAPTLMNAALDH1A1POLBMEN1
SCHEMBL7887336 0.78 MAPT (0.34) MAPT
SCHEMBL7707584 0.78 KDM4E (0.38) MAPTALDH1A1POLBGAANPSR1
SCHEMBL9080401 0.78 L3MBTL1 (0.37) MAPTLMNAHTTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365552-B1 AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-0759907-B1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AG (DE) 2001-10-10 EP disclosed
US-5928999-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-07-27 US disclosed
CN-1152305-A Substituted 3-phenylpyrazoles as herbicides BASF AG (DE) 1997-06-18 CN disclosed
EP-0763025-A1 SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-19 EP disclosed
EP-0759907-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-05 EP disclosed
WO-1995033728-A1 SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-12-14 WO disclosed
WO-1995032188-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-11-30 WO disclosed