SCHEMBL2003398

SCHEMBL2003398

COc1ccc2c(c1)c(C(=O)c1ccns1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
AHR P35869 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
CHRM1 P11229 1/20 0.46
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PLA2G2A P14555 1/20 0.45
GAA P10253 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL2006648 0.83 LMNA (0.53) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2010757 0.83 RXFP1 (0.58) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2001659 0.83 LMNA (0.47) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2002181 0.83 LMNA (0.52) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2006378 0.82 LMNA (0.47) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL3001659 0.82 TUBB4A (0.50) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2005436 0.82 LMNA (0.48) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2005143 0.82 AHR (0.74) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2004801 0.81 LMNA (0.47) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2003315 0.81 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