SCHEMBL630614

SCHEMBL630614

C[C@H](O)c1ccc(CC(NC(=O)O[C@H]2CCCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)Nc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
BDKRB1 P46663 8/20 0.41
KCNQ1 P51787 1/20 0.39
MMP1 P03956 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
CACNA1B Q00975 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP30 Q70CQ3 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL630680 0.92 KCNQ1 (0.48) POLBBDKRB1KCNQ1MMP1KMT2A
SCHEMBL631181 0.90 LMNA (0.44) POLBBDKRB1KCNQ1MMP1CHRM2
SCHEMBL8269061 0.90 POLB (0.53) POLBBDKRB1KCNQ1USP30HCRTR1
SCHEMBL630004 0.90 POLB (0.53) POLBBDKRB1KCNQ1USP30HCRTR1
SCHEMBL13206972 0.90 POLB (0.53) POLBBDKRB1KCNQ1USP30HCRTR1
SCHEMBL631414 0.89 POLB (0.42) POLBBDKRB1KCNQ1MEN1KMT2A
SCHEMBL630231 0.82 EPHX2 (0.44) POLBBDKRB1MEN1KMT2AL3MBTL1
SCHEMBL630671 0.82 POLB (0.46) POLBBDKRB1KCNQ1MMP1CHRM2
SCHEMBL1383477 0.82 KCNQ1 (0.56) POLBKCNQ1KMT2AHCRTR1HCRTR2
SCHEMBL629759 0.82 KCNQ1 (0.56) POLBKCNQ1KMT2AHCRTR1HCRTR2

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
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed