SCHEMBL4405907

SCHEMBL4405907

CC(C)(C)NS(=O)(=O)c1ccccc1C#C[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.42
ALOX5AP P20292 13/20 0.40
FEN1 P39748 13/20 0.40
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARG Q86W56 1/20 0.38
ALDH1A1 P00352 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
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1145362 0.77 ALDH1A1 (0.54) NSD2ALOX5APFEN1KDM4EMEN1
SCHEMBL31262949 0.77 CA2 (0.59) KDM4EMEN1MAPTHPGDKMT2A
SCHEMBL9499640 0.77 CA2 (0.59) KDM4EMEN1MAPTHPGDKMT2A
SCHEMBL13885327 0.77 NSD2 (0.46) NSD2ALOX5APFEN1KDM4EMEN1
SCHEMBL2803354 0.75 NSD2 (0.58) NSD2ALOX5APFEN1KDM4EMEN1
SCHEMBL20610141 0.73 ALDH1A1 (0.49) KDM4EMEN1MAPTHPGDKMT2A
SCHEMBL23326924 0.71 NSD2 (0.47) NSD2ALOX5APFEN1KDM4EMEN1
SCHEMBL3839029 0.71 KDM4E (0.49) KDM4EMEN1MAPTHPGDKMT2A
SCHEMBL8831875 0.70 ALOX5AP (0.47) NSD2ALOX5APFEN1PARG
SCHEMBL22057389 0.69 KDM4E (0.33) NSD2ALOX5APFEN1KDM4EMEN1

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-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed