SCHEMBL7707599

SCHEMBL7707599

Cn1nc(-c2ccc(Cl)c(C(=O)Cl)c2)c(Cl)c1OC(F)F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.33
NTRK1 P04629 2/20 0.33
GRIN2B Q13224 8/20 0.32
GRIN1 Q05586 4/20 0.32
TEAD2 Q15562 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RX7 Q99572 2/20 0.31
RIPK2 O43353 1/20 0.30
SLC34A1 Q06495 1/20 0.30

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
SCHEMBL7713804 0.91 ALDH1A1 (0.38) KCNH2NTRK1KDM4EALDH1A1PDE5A
SCHEMBL8754123 0.83 KCNH2 (0.34) KCNH2GRIN2BTEAD2
SCHEMBL8183820 0.82 NTRK1 (0.30) NTRK1
SCHEMBL7707687 0.82 P2RX7 (0.30) P2RX7
SCHEMBL7781838 0.82 KCNH2 (0.38) KCNH2GRIN2BGRIN1SLC34A1
SCHEMBL7711802 0.81 GRIN2B (0.33) KCNH2NTRK1GRIN2BGRIN1P2RX7
SCHEMBL7711801 0.81 KDM5B (0.38) NTRK1TEAD2KDM4EALDH1A1HSD17B10
SCHEMBL7713559 0.81 SCN9A (0.36) KCNH2GRIN2BGRIN1RIPK2SLC34A1
SCHEMBL7707664 0.81 KCNH2 (0.35) KCNH2GRIN2BGRIN1SLC34A1
SCHEMBL7974134 0.81 NTRK1 (0.33) NTRK1

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 5 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
EP-0759907-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-05 EP disclosed
WO-1995032188-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-11-30 WO disclosed