SCHEMBL2005121

SCHEMBL2005121

COc1ccc2c(c1)c(C(=O)c1cc(-c3ccnnc3)no1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.43
AHR P35869 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPY1R P25929 1/20 0.41
HTT P42858 1/20 0.41
NPY2R P49146 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
SCHEMBL2006480 0.91 LMNA (0.48) LMNASMN1; SMN2HDAC1HDAC2HDAC6
SCHEMBL2002672 0.89 LMNA (0.48) LMNASMN1; SMN2HDAC1HDAC2HDAC6
SCHEMBL2004265 0.89 LMNA (0.55) LMNASMN1; SMN2HDAC1HDAC2HDAC6
SCHEMBL2004269 0.88 LMNA (0.48) LMNASMN1; SMN2HDAC1HDAC2HDAC6
SCHEMBL2004469 0.88 LMNA (0.45) LMNASMN1; SMN2HDAC1HDAC2HDAC6
SCHEMBL2003695 0.87 LMNA (0.47) LMNASMN1; SMN2HDAC1HDAC2HDAC6
SCHEMBL2007306 0.86 LMNA (0.47) LMNASMN1; SMN2HDAC1HDAC2HDAC6
SCHEMBL2002459 0.86 LMNA (0.52) LMNASMN1; SMN2HDAC1HDAC2HDAC6
SCHEMBL2004530 0.86 LMNA (0.48) LMNASMN1; SMN2HDAC1HDAC2HDAC6
SCHEMBL2006666 0.86 LMNA (0.48) LMNASMN1; SMN2HDAC1HDAC2HDAC6

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