SCHEMBL2004058

SCHEMBL2004058

COc1ccc2c(c1)c(C(=O)c1nnc(-c3ncccn3)o1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
AHR P35869 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
CHRM1 P11229 1/20 0.44
POLB P06746 1/20 0.43
PLA2G2A P14555 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL2002562 0.91 LMNA (0.52) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2002594 0.90 LMNA (0.44) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2007926 0.89 MAPT (0.50) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2005437 0.89 LMNA (0.53) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL1998880 0.87 LMNA (0.48) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2003834 0.86 LMNA (0.55) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2007085 0.86 LMNA (0.47) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL1999750 0.86 LMNA (0.45) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2003056 0.86 MAPT (0.57) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2000552 0.86 LMNA (0.52) LMNAALDH1A1MAPTSMN1; SMN2AHR

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