SCHEMBL7707669

SCHEMBL7707669

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.34
GRIN2B Q13224 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
DRD1 P21728 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RAB9A P51151 1/20 0.31
DUSP3 P51452 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.31
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
SCHEMBL7781838 0.83 KCNH2 (0.38) KCNH2GRIN2BSLC34A1
SCHEMBL7841255 0.82
SCHEMBL8487497 0.82 KCNH2 (0.32) KCNH2GRIN2BDRD1
SCHEMBL7707664 0.81 KCNH2 (0.35) KCNH2GRIN2BSLC34A1
SCHEMBL7713559 0.81 SCN9A (0.36) KCNH2GRIN2BKMT2ASLC34A1
SCHEMBL7711809 0.81 L3MBTL1 (0.41) ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL7707599 0.80 KCNH2 (0.33) KCNH2GRIN2BALDH1A1SLC34A1
SCHEMBL7713804 0.80 ALDH1A1 (0.38) KCNH2ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL7162428 0.80
SCHEMBL7711793 0.80 TRPV4 (0.35) KCNH2GRIN2BALDH1A1LMNACYP2C9

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 9 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
US-5744426-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-04-28 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