SCHEMBL16660699

SCHEMBL16660699

O=C(c1ccc(C(F)(F)F)cc1[SH](=O)=O)c1cnoc1C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.50
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
THRB P10828 1/20 0.37
PIM1 P11309 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAOA P21397 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
AGTR1 P30556 1/20 0.37
CCKBR P32239 1/20 0.37
MC4R P32245 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL8494851 0.84 DHODH (0.53) DHODHMEN1KMT2ANPC1GMNN
SCHEMBL8495024 0.83 DHODH (0.52) DHODHMEN1KMT2ANPC1GMNN
SCHEMBL25397398 0.83 DHODH (0.47) DHODHMEN1KMT2ANPC1GMNN
SCHEMBL18053852 0.81 DHODH (0.50) DHODHMEN1KMT2ANPC1GMNN
SCHEMBL8491851 0.81 DHODH (0.47) DHODHMEN1KMT2ANPC1GMNN
SCHEMBL27383336 0.80 DHODH (0.45) DHODHMEN1KMT2ANPC1GMNN
SCHEMBL8489345 0.80 DHODH (0.49) DHODHMEN1KMT2ANPC1GMNN
SCHEMBL7550411 0.80 DHODH (0.52) DHODHMEN1KMT2ANPC1GMNN
SCHEMBL29547482 0.80 DHODH (0.49) DHODHMEN1KMT2ANPC1GMNN
SCHEMBL9113695 0.80 DHODH (0.60) DHODHMEN1KMT2ANPC1GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015056265-A1 A PROCESS FOR PREPARING ISOXAFLUTOLE ADAMA AGAN LTD. (IL) 2015-04-23 WO disclosed