SCHEMBL2004269

SCHEMBL2004269

COc1ccc2c(c1)c(C(=O)c1ccc(-c3ccnnc3)o1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 4/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
AHR P35869 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPY1R P25929 1/20 0.42
HTT P42858 1/20 0.42
NPY2R P49146 1/20 0.42
SERPINE1 P05121 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL2007306 0.90 LMNA (0.47) LMNASMN1; SMN2ALDH1A1MAPTHDAC1
SCHEMBL2005121 0.88 LMNA (0.47) LMNASMN1; SMN2ALDH1A1MAPTHDAC1
SCHEMBL2007856 0.87 LMNA (0.46) LMNASMN1; SMN2ALDH1A1MAPTHDAC1
SCHEMBL2003695 0.85 LMNA (0.47) LMNASMN1; SMN2ALDH1A1MAPTHDAC1
SCHEMBL2000683 0.85 LMNA (0.45) LMNASMN1; SMN2ALDH1A1MAPTHDAC1
SCHEMBL2003834 0.85 LMNA (0.55) LMNASMN1; SMN2ALDH1A1MAPTHDAC1
SCHEMBL2004469 0.84 LMNA (0.45) LMNASMN1; SMN2ALDH1A1MAPTHDAC1
SCHEMBL2003796 0.84 LMNA (0.45) LMNASMN1; SMN2ALDH1A1MAPTHDAC1
SCHEMBL2008285 0.84 LMNA (0.46) LMNASMN1; SMN2ALDH1A1MAPTHDAC1
SCHEMBL2005673 0.83 LMNA (0.49) LMNASMN1; SMN2ALDH1A1MAPTHDAC1

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