SCHEMBL8466191

SCHEMBL8466191

CS(=O)(=O)c1noc(C2CC2)c1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.44
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
GAA P10253 2/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
MAPT P10636 5/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL8489225 0.86 HPD (0.47) HPDFLT1FLT4KDRGAA
SCHEMBL8761919 0.83 HPD (0.46) HPDFLT1FLT4KDRALDH1A1
SCHEMBL8492322 0.80 PPARD (0.43) HPDALDH1A1MAPTKMT2AMEN1
SCHEMBL8492588 0.79 HPD (0.51) HPDFLT1FLT4KDRGAA
SCHEMBL8494775 0.78 MEN1 (0.52) HPDFLT1FLT4KDRALDH1A1
SCHEMBL6594174 0.76 NPC1 (0.40) GAAALDH1A1LMNAMAPTKMT2A
SCHEMBL8495654 0.76 HPD (0.53) HPDFLT1FLT4KDRGAA
SCHEMBL8763711 0.76 KMT2A (0.38) GAAALDH1A1LMNAMAPTKMT2A
SCHEMBL7454528 0.75 GPBAR1 (0.34)
SCHEMBL8489367 0.75 HPD (0.52) HPDFLT1FLT4KDRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999021842-A1 HERBICIDAL 4-BENZOYLISOXAZOLES DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 WO claimed
US-5863865-A APPLYING PLANT GROWTH REGULATOR TO AN AREA WHERE SUCH CONTROL IS DESIRED ZENECA LIMITED (GB) 1999-01-26 US claimed
WO-1999021842-A1 HERBICIDAL 4-BENZOYLISOXAZOLES DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 WO disclosed
US-5863865-A APPLYING PLANT GROWTH REGULATOR TO AN AREA WHERE SUCH CONTROL IS DESIRED ZENECA LIMITED (GB) 1999-01-26 US disclosed