SCHEMBL2009190

SCHEMBL2009190

COc1ccc2c(c1)c(C(=O)c1cn(-c3ncccn3)nn1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
ALDH1A1 P00352 3/20 0.49
AHR P35869 1/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
PLA2G2A P14555 2/20 0.43
ACHE P22303 1/20 0.43
CHRM1 P11229 1/20 0.43
POLB P06746 1/20 0.42
SERPINE1 P05121 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL2007308 0.91 LMNA (0.52) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2004292 0.88 LMNA (0.56) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2002244 0.88 LMNA (0.49) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2007990 0.88 LMNA (0.51) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2004843 0.88 LMNA (0.48) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2007527 0.87 LMNA (0.47) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2003833 0.87 LMNA (0.47) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2003326 0.86 LMNA (0.48) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL1999711 0.85 LMNA (0.47) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2006972 0.84 LMNA (0.55) 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