SCHEMBL8489232

SCHEMBL8489232

CS(=O)(=O)c1ccc(C(=O)c2cnoc2C2CC2)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.35
KIF18A Q8NI77 2/20 0.35
PIK3CA P42336 1/20 0.34
PDE2A O00408 1/20 0.33
NPC1 O15118 2/20 0.33
FAAH O00519 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGDR Q13258 1/20 0.32
CRACR2A Q9BSW2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SYK P43405 1/20 0.31
PAK1 Q13153 1/20 0.31

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
SCHEMBL8683983 0.87 DHODH (0.36) DHODHKIF18APDE2ANPC1LMNA
SCHEMBL8493300 0.87 DHODH (0.36) DHODHKIF18APDE2ANPC1LMNA
SCHEMBL2778848 0.86 PAK1 (0.42) NPC1LMNARAB9AMEN1KMT2A
SCHEMBL8492055 0.86 NR1I2 (0.39) DHODHCRACR2A
SCHEMBL8495014 0.85 DHODH (0.34) DHODHKIF18APDE2ANPC1LMNA
SCHEMBL8493270 0.84 DHODH (0.34) DHODHKIF18APDE2ANPC1LMNA
SCHEMBL8494493 0.84 IRAK4 (0.39) DHODHLMNARAB9AMEN1KMT2A
SCHEMBL6912863 0.84 CACNA1B (0.42) DHODHKIF18ACRACR2A
SCHEMBL8492350 0.83 LMNA (0.50) DHODHNPC1LMNARAB9AMEN1
SCHEMBL7573465 0.83 DHODH (0.33) DHODHKIF18APDE2ANPC1LMNA

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
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed