SCHEMBL1999784

SCHEMBL1999784

COc1ccc2c(c1)c(C(=O)c1noc(-c3cccnn3)n1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 3/20 0.43
AHR P35869 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
CHRM1 P11229 1/20 0.41
PLA2G2A P14555 2/20 0.40
ACHE P22303 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPY1R P25929 1/20 0.39
HTT P42858 1/20 0.39
NPY2R P49146 1/20 0.39
USP10 Q14694 1/20 0.39
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2002676 0.90 LMNA (0.51) LMNAALDH1A1SMN1; SMN2MAPTAHR
SCHEMBL2002655 0.87 LMNA (0.51) LMNAALDH1A1SMN1; SMN2MAPTAHR
SCHEMBL2003945 0.86 LMNA (0.49) LMNAALDH1A1SMN1; SMN2MAPTAHR
SCHEMBL1998880 0.86 LMNA (0.48) LMNAALDH1A1SMN1; SMN2MAPTAHR
SCHEMBL2006666 0.86 LMNA (0.48) LMNAALDH1A1SMN1; SMN2MAPTAHR
SCHEMBL2003558 0.86 LMNA (0.54) LMNAALDH1A1SMN1; SMN2MAPTAHR
SCHEMBL2007797 0.86 LMNA (0.46) LMNAALDH1A1SMN1; SMN2MAPTAHR
SCHEMBL2009277 0.86 LMNA (0.44) LMNAALDH1A1SMN1; SMN2MAPTAHR
SCHEMBL2004372 0.86 LMNA (0.46) LMNAALDH1A1SMN1; SMN2MAPTAHR
SCHEMBL2002632 0.86 LMNA (0.46) LMNAALDH1A1SMN1; SMN2MAPTAHR

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
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed