SCHEMBL3812470

SCHEMBL3812470

Cc1ccc(S(=O)(=O)O)c(CC2COC(CO)CO2)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MEP1B Q16820 1/20 0.32
LMNA P02545 1/20 0.31
CA2 P00918 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 4/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
POLB P06746 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3809686 1.00 MEN1 (0.34) MEN1KMT2AMAOAMAOBMEP1B
SCHEMBL909752 0.93 KMT2A (0.38) MEN1KMT2AMEP1BLMNACA2
SCHEMBL537494 0.93 KMT2A (0.38) MEN1KMT2AMEP1BLMNACA2
SCHEMBL909187 0.93 KMT2A (0.38) MEN1KMT2AMEP1BLMNACA2
SCHEMBL5153705 0.85 ALDH1A1 (0.33) MEN1KMT2AMEP1BLMNACA2
SCHEMBL30321034 0.83 PRMT5 (0.42) MEN1KMT2ALMNAMAPK1ALDH1A1
SCHEMBL20184269 0.83 ALDH1A1 (0.44) MEN1KMT2ALMNAKDM4EMAPK1
SCHEMBL27206070 0.82 KDM4E (0.39) KMT2AMEP1BLMNAKDM4EMAPK1
SCHEMBL32681961 0.81 SLC6A2 (0.37) MEN1KMT2AMEP1BLMNAKDM4E
SCHEMBL4795645 0.79 CA2 (0.39) MEN1KMT2ALMNACA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185537-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-05-19 EP disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed