SCHEMBL2009277

SCHEMBL2009277

COc1ccc2c(c1)c(C(=O)c1noc(-c3ccncn3)n1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
AHR P35869 1/20 0.42
MAPT P10636 5/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
CHRM1 P11229 1/20 0.39
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 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) LMNASMN1; SMN2ALDH1A1AHRMAPT
SCHEMBL2007797 0.89 LMNA (0.46) LMNASMN1; SMN2ALDH1A1AHRMAPT
SCHEMBL2005959 0.89 LMNA (0.47) LMNASMN1; SMN2ALDH1A1AHRMAPT
SCHEMBL2002655 0.87 LMNA (0.51) LMNASMN1; SMN2ALDH1A1AHRMAPT
SCHEMBL2005019 0.86 LMNA (0.47) LMNASMN1; SMN2ALDH1A1AHRMAPT
SCHEMBL2002623 0.86 LMNA (0.46) LMNASMN1; SMN2ALDH1A1AHRMAPT
SCHEMBL2001633 0.86 LMNA (0.46) LMNASMN1; SMN2ALDH1A1AHRMAPT
SCHEMBL2000680 0.86 LMNA (0.44) LMNASMN1; SMN2ALDH1A1AHRMAPT
SCHEMBL1999784 0.86 LMNA (0.46) LMNASMN1; SMN2ALDH1A1AHRMAPT
SCHEMBL1999750 0.85 LMNA (0.45) LMNASMN1; SMN2ALDH1A1AHRMAPT

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