SCHEMBL13812667

SCHEMBL13812667

O=C(NCCc1ccccc1OCc1ccccc1)c1cc(Cl)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.56
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.51
▸ AKR1C3 P42330 2/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ DNMT3A Q9Y6K1 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ THRA P10827 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ SYK P43405 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ PTGER1 P34995 1/20 0.47
▸ SGMS2 Q8NHU3 1/20 0.47
▸ SNCA P37840 1/20 0.47

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
SCHEMBL13812663 0.89 KMT2A (0.59) KMT2AMEN1TDP1AKR1C3LMNA
SCHEMBL13812613 0.86 DNMT3A (0.55) PTGS1KMT2AMEN1TDP1AKR1C3
SCHEMBL13812664 0.84 PTGS1 (0.58) PTGS1KMT2AMEN1TDP1CDK1
SCHEMBL13812597 0.83 THRB (0.58) PTGS1KMT2AMEN1TDP1CDK1
SCHEMBL13812638 0.83 NPC1 (0.54) PTGS1KMT2AMEN1TDP1CDK1
SCHEMBL13812659 0.80 KMT2A (0.53) PTGS1KMT2AMEN1TDP1CDK1
SCHEMBL13812875 0.77 KCNMA1 (0.59) KMT2AMEN1TDP1GAAHTT
SCHEMBL13812596 0.77 THRB (0.58) PTGS1KMT2AMEN1TDP1CDK1
SCHEMBL13812594 0.76 TUBB (0.64) KMT2AMEN1LMNAHTTMCL1
SCHEMBL6357661 0.76 SGMS2 (0.52) KMT2AMEN1TDP1AKR1C3LMNA

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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