SCHEMBL2000841

SCHEMBL2000841

COc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccc3)o1)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
PLA2G2A P14555 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
SERPINE1 P05121 1/20 0.46
CHRM1 P11229 1/20 0.46
POLB P06746 1/20 0.45
FAAH O00519 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPY1R P25929 1/20 0.43
HTT P42858 1/20 0.43
NPY2R P49146 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2003245 0.92 LMNA (0.47) LMNAALDH1A1MAPTAHRPLA2G2A
SCHEMBL2007318 0.92 LMNA (0.47) LMNAALDH1A1MAPTAHRPLA2G2A
SCHEMBL2006999 0.89 LMNA (0.51) LMNAALDH1A1MAPTAHRPLA2G2A
SCHEMBL2007973 0.86 LMNA (0.55) LMNAALDH1A1MAPTAHRPLA2G2A
SCHEMBL3004958 0.84 LMNA (0.48) LMNAALDH1A1MAPTPLA2G2ASMN1; SMN2
SCHEMBL2000958 0.83 LMNA (0.57) LMNAALDH1A1MAPTAHRPLA2G2A
SCHEMBL2003596 0.83 PLA2G2A (0.48) LMNAALDH1A1MAPTPLA2G2AFAAH
SCHEMBL2006741 0.83 LMNA (0.54) LMNAALDH1A1MAPTAHRPLA2G2A
SCHEMBL2008494 0.82 PLA2G2A (0.56) LMNAALDH1A1MAPTPLA2G2APOLB
SCHEMBL2007187 0.82 LMNA (0.55) LMNAALDH1A1MAPTAHRPLA2G2A

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