SCHEMBL9987377

SCHEMBL9987377

CS(=O)(=O)c1ccc(Oc2cc(I)cc(C(=O)N3CCCC3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 5/20 0.44
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA7 P43166 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 4/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH1 P35367 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
S1PR2 O95136 1/20 0.41

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
SCHEMBL1107756 0.87 MEN1 (0.46) MEN1KMT2APOLBGAAHTT
SCHEMBL9892938 0.87 MEN1 (0.46) MEN1KMT2APOLBGAAHTT
SCHEMBL1107728 0.85 KMT2A (0.46) MEN1KMT2APOLBGAAHTT
SCHEMBL1107310 0.84 MEN1 (0.45) MEN1KMT2APOLBGAAHTT
SCHEMBL9987330 0.79 MEN1 (0.42) MEN1KMT2APOLBGAAHTT
SCHEMBL9986797 0.74 GCK (0.62)
SCHEMBL13800995 0.71 TSHR (0.65) MEN1KMT2APOLBGAAHTT
SCHEMBL2664258 0.70 MAPT (0.53) MEN1KMT2APOLBGAAHTT
SCHEMBL1107719 0.70 MEN1 (0.58) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL257897 0.69 MEN1 (0.64) MEN1KMT2APOLBGAAHTT

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
WO-2011158149-A1 2-(3,5-DISUBSTITUTEDPHENYL)PYRIMIDIN-4(3H)-ONE DERIVATIVES PFIZER INC. (US) 2011-12-22 WO disclosed
WO-2011158149-A1 2-(3,5-DISUBSTITUTEDPHENYL)PYRIMIDIN-4(3H)-ONE DERIVATIVES PFIZER INC. (US) 2011-12-22 WO disclosed