SCHEMBL12126

SCHEMBL12126

O=C1/C(=C/c2ccc(F)cc2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.80
MEN1 O00255 4/20 0.80
KMT2A Q03164 4/20 0.80
LMNA P02545 4/20 0.80
ALDH1A1 P00352 3/20 0.80
KDM4E B2RXH2 2/20 0.80
L3MBTL1 Q9Y468 2/20 0.80
HTT P42858 2/20 0.80
HPGD P15428 2/20 0.80
POLB P06746 1/20 0.80
THRB P10828 1/20 0.80
DNMT1 P26358 1/20 0.80
MCL1 Q07820 1/20 0.80
SIRT5 Q9NXA8 5/20 0.45
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL12297560 0.70 MEN1 (0.55) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL12297687 0.70 MAPT (0.59) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL19559164 0.69 KMT2A (0.53) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL28911495 0.68 BCL2 (0.63) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL12297690 0.66 KMT2A (0.48) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL12297673 0.66 KMT2A (0.55) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL3891044 0.66 MEN1 (0.55) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL3891040 0.66 MEN1 (0.55) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL17122108 0.65 KMT2A (0.57) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL12297668 0.65 KMT2A (0.58) MAPTMEN1KMT2ALMNAALDH1A1

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
EP-2525790-B1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS INC (US) 2020-05-27 EP disclosed
US-8883438-B2 Method for diagnosing cell proliferation disorders having a neoactive mutation at residue 97 of isocitrate dehydrogenase 1 AGIOS PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-8883438-B2 Method for diagnosing cell proliferation disorders having a neoactive mutation at residue 97 of isocitrate dehydrogenase 1 AGIOS PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
WO-2011050211-A2 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS, INC. (US) 2011-04-28 WO disclosed