SCHEMBL3263297

SCHEMBL3263297

CCOc1c(I)c(C(F)(F)F)nn1S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.31
PKM P14618 1/20 0.31
DGAT1 O75907 1/20 0.30

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
SCHEMBL3263157 0.73 CA12 (0.30)
SCHEMBL3264755 0.66 CA12 (0.33) MEN1KMT2ANPSR1PKM
SCHEMBL24677206 0.65 L3MBTL1 (0.38) PTGS2PKM
SCHEMBL13259552 0.62 POLB (0.35) KDM4EMEN1HPGDKMT2ANPSR1
SCHEMBL14466825 0.60 POLB (0.41) KDM4EMEN1HPGDKMT2ANPSR1
SCHEMBL537595 0.58 SMN1; SMN2 (0.38) KDM4EMEN1HPGDKMT2ADGAT1
SCHEMBL21721151 0.58
SCHEMBL3263504 0.57 CA12 (0.34) KDM4EMEN1KMT2ANPSR1PKM
SCHEMBL24677205 0.57 BRD9 (0.30)
SCHEMBL3262454 0.56

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-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed