SCHEMBL7713804

SCHEMBL7713804

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
XDH P47989 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
GRIK2 Q13002 1/20 0.36
GRIK3 Q13003 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
CTSB P07858 1/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL7707599 0.91 KCNH2 (0.33) ALDH1A1NTRK1PDE5APDE1APDE1B
SCHEMBL8723144 0.90 TDP1 (0.38) ALDH1A1L3MBTL1XDHGRIK1GRIA1
SCHEMBL27559404 0.85 PDE5A (0.36) ALDH1A1NTRK1PDE5APDE1APDE1B
SCHEMBL8754123 0.83 KCNH2 (0.34) KCNH2
SCHEMBL7829990 0.82 TSHR (0.34) ALDH1A1L3MBTL1TP53NTRK1POLB
SCHEMBL9717776 0.82 WEE1 (0.34) ALDH1A1L3MBTL1MAPTKDM4EPOLB
SCHEMBL7707687 0.82 P2RX7 (0.30)
SCHEMBL7781838 0.82 KCNH2 (0.38) KCNH2
SCHEMBL7711802 0.81 GRIN2B (0.33) L3MBTL1MAPTKMT2ANTRK1KCNH2
SCHEMBL7711801 0.81 KDM5B (0.38) ALDH1A1TP53MAPTGAANTRK1

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