SCHEMBL6773124

SCHEMBL6773124

O=C(NNS(=O)(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 8/20 0.59
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOA P21397 1/20 0.49
GAA P10253 3/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
PTGS2 P35354 1/20 0.47
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL178335 0.81 HDAC3 (0.52) KAT6AMEN1KMT2AMAOAGAA
Benzene SCHEMBL28257695 0.81 KAT6A (0.67) KAT6AMEN1KMT2AMAOAGAA
SCHEMBL3148896 0.76 KAT6A (0.65) KAT6AMEN1KMT2AMAOAGAA
SCHEMBL4765513 0.74 KAT6A (1.00) KAT6AMEN1KMT2AGAACYP3A4
SCHEMBL22503188 0.73 VCP (0.45) KAT6AMEN1KMT2AMAOANPC1
SCHEMBL400890 0.73 RAB9A (0.77) KAT6AMEN1KMT2AMAOAGAA
SCHEMBL27617995 0.73 NPC1 (0.53) KAT6AMEN1KMT2AMAOAGAA
Benzohydroxamate SCHEMBL31280316 0.73 HDAC8 (0.67) NPC1RAB9A
SCHEMBL22503084 0.72 CTDSP1 (0.53) MEN1KMT2ANPC1RAB9ACTDSP1
SCHEMBL4924649 0.72 RAB9A (0.57) MEN1KMT2AMAOAGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693124-B1 3H-1,2,4-TRIAZOL-3-ONE OR 3H-ISOOXAZOL-3-ONE DERIVATIVES; EFFICIENT FUNGICIDAL ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 2004-02-17 US disclosed
EP-0988293-B1 BISIMINO-SUBSTITUTED PHENYL COMPOUNDS AND THEIR USE AS PESTICIDES BASF AG (DE) 2002-04-17 EP disclosed
US-6232317-B1 DERIVATIVES OF 4-PHENYL-2,3-DIHYDROISOXAZOLONE AND 4-PHENYL-2,4-DIHYDROTRIAZOLONES HAVING METHYLENEOXIMINO GROUP ORTHO POSITION AND PROCESS OF MAKING THEM BY OXIMINATION, OXIDATION, AND HALOGENATION BASF AKTIENGESELLSCHAFT (DE) 2001-05-15 US disclosed
EP-1001948-A1 BISIMINO-SUBSTITUTED PHENYL COMPOUNDS AND THEIR USE AS PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-24 EP disclosed
EP-0988293-A1 BISIMINO-SUBSTITUTED PHENYL COMPOUNDS AND THEIR USE AS PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-03-29 EP disclosed
WO-1999006379-A1 BISIMINO-SUBSTITUTED PHENYL COMPOUNDS AND THEIR USE AS PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-02-11 WO disclosed
WO-1998056774-A1 BISIMINO-SUBSTITUTED PHENYL COMPOUNDS AND THEIR USE AS PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-12-17 WO disclosed