SCHEMBL13812596

SCHEMBL13812596

O=C(NCCc1ccc(OCCc2ccccc2)cc1)c1cc(Cl)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
MAPT P10636 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
THRA P10827 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DNMT3A Q9Y6K1 1/20 0.52
PTGS1 P23219 1/20 0.52
CDK1 P06493 1/20 0.51
TUBB P07437 1/20 0.51

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
SCHEMBL13812693 0.91 THRB (0.53) THRBMEN1KMT2ATDP1LMNA
SCHEMBL13812597 0.91 THRB (0.58) THRBMEN1KMT2ATDP1LMNA
SCHEMBL13812599 0.91 TUBB (0.62) THRBMEN1KMT2ATDP1LMNA
SCHEMBL13812600 0.87 LTA4H (0.61) THRBMEN1KMT2ATDP1LMNA
SCHEMBL13812609 0.85 TMPRSS4 (0.64) MEN1KMT2ALMNAHTTMAPT
SCHEMBL13812612 0.83 TUBB (0.55) THRBMEN1KMT2ATDP1LMNA
SCHEMBL13812638 0.81 NPC1 (0.54) THRBMEN1KMT2ATDP1LMNA
SCHEMBL13812636 0.81 THRB (0.59) THRBMEN1KMT2ATDP1LMNA
SCHEMBL23675417 0.81 P2RX1 (0.60) MEN1KMT2ALMNAGAAMAPT
SCHEMBL13812613 0.81 DNMT3A (0.55) THRBMEN1KMT2ATDP1LMNA

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