SCHEMBL2005389

SCHEMBL2005389

COc1ccc2c(c1)c(C(=O)c1cc(-c3ccccn3)no1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALDH1A1 P00352 2/20 0.52
AHR P35869 1/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.45
NPY1R P25929 1/20 0.45
HTT P42858 1/20 0.45
NPY2R P49146 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PLA2G2A P14555 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CHRM1 P11229 1/20 0.43
POLB P06746 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ACHE P22303 1/20 0.41
SERPINE1 P05121 1/20 0.40

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
SCHEMBL2002459 0.91 LMNA (0.52) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2004530 0.89 LMNA (0.48) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2001633 0.89 LMNA (0.46) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2006666 0.89 LMNA (0.48) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2004265 0.89 LMNA (0.55) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2000482 0.87 LMNA (0.54) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2002080 0.86 LMNA (0.53) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2006480 0.86 LMNA (0.48) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2002676 0.86 LMNA (0.51) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2002672 0.86 LMNA (0.48) LMNAALDH1A1AHRMAPTSMN1; SMN2

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