SCHEMBL2004355

SCHEMBL2004355

COc1ccc2c(c1)c(C(=O)c1cnn(-c3ccncc3)c1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
RAB9A P51151 3/20 0.48
GAA P10253 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL2006745 0.92 LMNA (0.61) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2003857 0.91 KMT2A (0.55) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2004167 0.91 MEN1 (0.54) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2007924 0.88 LMNA (0.50) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2006972 0.88 LMNA (0.55) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2002680 0.87 LMNA (0.51) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2007133 0.85 MAPT (0.61) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2004215 0.84 LMNA (0.52) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2005499 0.84 MEN1 (0.52) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL1998366 0.84 LMNA (0.48) KMT2AMEN1LMNAALDH1A1MAPT

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