SCHEMBL2000482

SCHEMBL2000482

COc1ccc2c(c1)c(C(=O)c1nc(-c3ccccn3)no1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.48
AHR P35869 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
POLB P06746 1/20 0.43
PLA2G2A P14555 2/20 0.42
CHRM1 P11229 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPY1R P25929 1/20 0.42
HTT P42858 1/20 0.42
NPY2R P49146 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 2/20 0.41
GRM5 P41594 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
SCHEMBL2000552 0.92 LMNA (0.52) LMNAALDH1A1MAPTAHRSMN1; SMN2
SCHEMBL2006627 0.91 LMNA (0.45) LMNAALDH1A1MAPTAHRSMN1; SMN2
SCHEMBL2003945 0.89 LMNA (0.49) LMNAALDH1A1MAPTAHRSMN1; SMN2
SCHEMBL2009469 0.89 LMNA (0.49) LMNAALDH1A1MAPTAHRSMN1; SMN2
SCHEMBL2005019 0.89 LMNA (0.47) LMNAALDH1A1MAPTAHRSMN1; SMN2
SCHEMBL2000958 0.88 LMNA (0.57) LMNAALDH1A1MAPTAHRSMN1; SMN2
SCHEMBL2003054 0.87 LMNA (0.51) LMNAALDH1A1MAPTAHRSMN1; SMN2
SCHEMBL2005389 0.87 LMNA (0.53) LMNAALDH1A1MAPTAHRSMN1; SMN2
SCHEMBL2002676 0.86 LMNA (0.51) LMNAALDH1A1MAPTAHRSMN1; SMN2
SCHEMBL2002562 0.86 LMNA (0.52) LMNAALDH1A1MAPTAHRSMN1; 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