SCHEMBL7745256

SCHEMBL7745256

CCOC(=O)CCc1c[c]c(F)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
ALDH1A1 P00352 5/20 0.38
GAA P10253 1/20 0.38
NLRP3 Q96P20 1/20 0.38
TNF P01375 1/20 0.37
MAPT P10636 6/20 0.37
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 2/20 0.35
BRCA1 P38398 1/20 0.35
HSD17B10 Q99714 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 3/20 0.34

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
SCHEMBL5843410 0.87 ALDH1A1 (0.38) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL8004751 0.85 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1GAANLRP3
SCHEMBL7745237 0.83 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1GAANLRP3
SCHEMBL6594484 0.78 NLRP3 (0.34) ALDH1A1GAANLRP3MAPTKDM4E
SCHEMBL6593077 0.78 ALDH1A1 (0.33) ALDH1A1GAANLRP3MAPTKDM4E
SCHEMBL5841619 0.77 NLRP3 (0.43) ALDH1A1NLRP3MAPTKDM4ESMN1; SMN2
SCHEMBL6596580 0.76 MAPT (0.49) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL5842208 0.76 KDM4E (0.49) ALDH1A1GAAMAPTKDM4EHPGD
SCHEMBL7603340 0.75 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1GAANLRP3
SCHEMBL5842755 0.73 MAPT (0.37) ALDH1A1GAANLRP3MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001009087-A1 SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed
EP-1070055-A1 SUBSTITUTED PHENYL PYRIDAZINONES Bayer Aktiengesellschaft (DE) 2001-01-24 EP disclosed
US-6162765-A Substituted N-aryl nitrogen-containing heterocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2000-12-19 US disclosed
WO-2000008000-A1 USE OF SUBSTITUTED TRIAZINONES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-02-17 WO disclosed
WO-1999052878-A1 SUBSTITUTED PHENYL PYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-21 WO disclosed
EP-0882027-A1 SUBSTITUTED 2-ARYL-1,2,4-TRIAZINE-3,5-DI(THI)ONES AS HERBICIDES BAYER AG (DE) 1998-12-09 EP disclosed
EP-0832072-A1 PHENYLPYRIDAZINONES BAYER AG (DE) 1998-04-01 EP disclosed
WO-1997030980-A1 SUBSTITUTED 2-ARYL-1,2,4-TRIAZINE-3,5-DI(THI)ONES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-28 WO disclosed
WO-1997005117-A1 SUBSTITUTED 1-PHENYLURACIL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-13 WO disclosed
WO-1996039392-A1 PHENYLPYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-12 WO disclosed