SCHEMBL13812699

SCHEMBL13812699

Cc1cccc(OCCc2ccccc2)c1NC(=O)c1cc(Cl)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TMPRSS4 Q9NRS4 3/20 0.49
▸ THRB P10828 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KCNMA1 Q12791 5/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ P2RX1 P51575 7/20 0.46
▸ P2RX4 Q99571 1/20 0.46
▸ P2RX7 Q99572 1/20 0.46
▸ S1PR2 O95136 1/20 0.46
▸ S1PR4 O95977 1/20 0.46
▸ S1PR1 P21453 1/20 0.46
▸ S1PR3 Q99500 1/20 0.46

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
SCHEMBL13812598 0.86 KCNMA1 (0.51) MEN1KMT2ATMPRSS4SMN1; SMN2KCNMA1
SCHEMBL13812730 0.84 TMPRSS4 (0.49) MEN1KMT2ATMPRSS4KCNMA1ALOX15
SCHEMBL13812627 0.84 MEN1 (0.55) MEN1KMT2ATMPRSS4SMN1; SMN2KCNMA1
SCHEMBL13812592 0.84 TMPRSS4 (0.55) MEN1KMT2ATMPRSS4ALOX15P2RX1
SCHEMBL13812704 0.83 MEN1 (0.49) MEN1KMT2ATMPRSS4SMN1; SMN2KCNMA1
SCHEMBL3861646 0.82 KCNMA1 (0.56) MEN1KMT2ATMPRSS4SMN1; SMN2KCNMA1
SCHEMBL13812700 0.82 KCNMA1 (0.58) MEN1KMT2ATMPRSS4SMN1; SMN2KCNMA1
SCHEMBL13812701 0.82 KCNMA1 (0.53) MEN1KMT2ATMPRSS4KCNMA1ALOX15
SCHEMBL3863657 0.80 P2RX1 (0.62) MEN1KMT2ATMPRSS4P2RX1P2RX4
SCHEMBL13812587 0.80 MAPT (0.56) MEN1KMT2ATMPRSS4SMN1; SMN2KCNMA1

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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