SCHEMBL2005107

SCHEMBL2005107

COc1ccc2c(c1)c(C(=O)c1ccsn1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
ALDH1A1 P00352 3/20 0.51
AHR P35869 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 3/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
PLA2G2A P14555 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
KCNA3 P22001 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL2008699 0.82 LMNA (0.52) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL3006335 0.82 TUBB4A (0.48) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL2005143 0.82 AHR (0.74) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL2010757 0.81 RXFP1 (0.58) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL1999497 0.81 LMNA (0.56) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL2004292 0.81 LMNA (0.56) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL2004843 0.81 LMNA (0.48) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL2009190 0.81 LMNA (0.51) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL2003062 0.81 LMNA (0.55) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL1998366 0.81 LMNA (0.48) LMNAALDH1A1AHRSMN1; SMN2MAPT

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