SCHEMBL13812663

SCHEMBL13812663

O=C(NCc1ccccc1OCc1ccccc1)c1cc(Cl)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.59
▸ SGMS2 Q8NHU3 1/20 0.55
▸ TUBB P07437 1/20 0.54
▸ MEN1 O00255 2/20 0.52
▸ PLA2G1B P04054 1/20 0.51
▸ ATG4B Q9Y4P1 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ THRB P10828 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ PTGER1 P34995 2/20 0.49
▸ TMPRSS4 Q9NRS4 2/20 0.49

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
SCHEMBL13812667 0.89 PTGS1 (0.56) KMT2ASGMS2TUBBMEN1LMNA
SCHEMBL13812659 0.89 KMT2A (0.53) KMT2ATUBBMEN1MAPTLMNA
SCHEMBL13812594 0.83 TUBB (0.64) KMT2ASGMS2TUBBMEN1MAPT
SCHEMBL6355276 0.83 KMT2A (0.63) KMT2ASGMS2TP53SMN1; SMN2LMNA
SCHEMBL13812617 0.82 RAB9A (0.60) KMT2ATUBBMEN1MAPTTP53
SCHEMBL13236587 0.81 TUBB (0.75) KMT2ATUBBMEN1MAPTTP53
SCHEMBL30100461 0.81 TUBB (0.75) KMT2ATUBBMEN1MAPTTP53
SCHEMBL6360998 0.81 KMT2A (0.60) KMT2ASGMS2MEN1MAPTTP53
SCHEMBL6356805 0.81 KMT2A (0.60) KMT2ASGMS2MEN1TP53SMN1; SMN2
SCHEMBL13812613 0.79 DNMT3A (0.55) KMT2ATUBBMEN1LMNAGAA

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
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
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