SCHEMBL7893825

SCHEMBL7893825

COc1cccc(OC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.80
▸ MEN1 O00255 2/20 0.80
▸ KMT2A Q03164 2/20 0.80
▸ POLB P06746 2/20 0.57
▸ PKM P14618 3/20 0.56
▸ LMNA P02545 3/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ TSHR P16473 1/20 0.54
▸ CNR1 P21554 1/20 0.53
▸ HTT P42858 2/20 0.53
▸ RECQL P46063 1/20 0.53
▸ MAPT P10636 1/20 0.53

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
SCHEMBL7891537 0.87 KMT2A (0.64) GAAMEN1KMT2APOLBALDH1A1
SCHEMBL7893093 0.81 PKM (0.79) GAAMEN1KMT2APOLBPKM
SCHEMBL7883722 0.79 KMT2A (0.70) GAAMEN1KMT2APOLBPKM
SCHEMBL7890110 0.77 LMNA (0.73) MEN1KMT2APOLBPKMLMNA
SCHEMBL5255516 0.76 GAA (0.80) GAAMEN1KMT2APOLBLMNA
SCHEMBL9513007 0.75 POLB (0.62) GAAMEN1KMT2APOLBLMNA
SCHEMBL7892717 0.74 ALDH1A1 (0.60) GAAMEN1KMT2APOLBLMNA
SCHEMBL7890979 0.74 THRB (0.74) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL3714000 0.74 GPR183 (0.65) MEN1KMT2APKMLMNAL3MBTL1
SCHEMBL5915285 0.74 LMNA (0.70) MEN1KMT2APOLBPKMLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010102663-A1 PIPERAZINE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2010-09-16 — — WO disclosed
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