SCHEMBL13812693

SCHEMBL13812693

O=C(NCCc1cccc(OCCc2ccccc2)c1)c1cc(Cl)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PTGS1 P23219 1/20 0.50
GSK3B P49841 1/20 0.49
CDK1 P06493 1/20 0.49
THRA P10827 2/20 0.48
MAPT P10636 1/20 0.48
DNMT3A Q9Y6K1 1/20 0.47
AKR1C3 P42330 1/20 0.47
SIRT2 Q8IXJ6 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
SCHEMBL13812596 0.91 THRB (0.58) THRBTDP1LMNAGAAHTT
SCHEMBL13812638 0.90 NPC1 (0.54) THRBTDP1LMNAGAAHTT
SCHEMBL13812612 0.90 TUBB (0.55) THRBTDP1LMNAHTTMEN1
SCHEMBL13812636 0.88 THRB (0.59) THRBTDP1LMNAGAAHTT
SCHEMBL3863657 0.84 P2RX1 (0.62) MEN1KMT2ANPC1RAB9ASIRT2
SCHEMBL13812600 0.83 LTA4H (0.61) THRBTDP1LMNAGAAHTT
SCHEMBL13812599 0.83 TUBB (0.62) THRBTDP1LMNAGAAHTT
SCHEMBL13812597 0.83 THRB (0.58) THRBTDP1LMNAGAAHTT
SCHEMBL13812562 0.82 TMPRSS4 (0.62) MEN1KMT2ANPC1RAB9ASIRT2
SCHEMBL13812617 0.79 RAB9A (0.60) THRBLMNAGAAHTTMEN1

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