SCHEMBL2003245

SCHEMBL2003245

COc1ccc2c(c1)c(C(=O)c1ncc(-c3ccncc3)o1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.45
AHR P35869 1/20 0.44
MAPT P10636 3/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
POLB P06746 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40

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
SCHEMBL2000841 0.92 LMNA (0.54) LMNASMN1; SMN2ALDH1A1AHRMAPT
SCHEMBL2007318 0.91 LMNA (0.47) LMNASMN1; SMN2ALDH1A1AHRMAPT
SCHEMBL2006999 0.87 LMNA (0.51) LMNASMN1; SMN2ALDH1A1AHRMAPT
SCHEMBL2006587 0.86 LMNA (0.48) LMNASMN1; SMN2ALDH1A1AHRMAPT
SCHEMBL3006344 0.85 TUBB4A (0.51) LMNASMN1; SMN2ALDH1A1AHRMAPT
SCHEMBL2003112 0.84 LMNA (0.49) LMNASMN1; SMN2ALDH1A1AHRMAPT
SCHEMBL2005733 0.83 MEN1 (0.45) LMNAALDH1A1MAPTPLA2G2AMEN1
SCHEMBL2006991 0.83 LMNA (0.47) LMNASMN1; SMN2ALDH1A1AHRMAPT
SCHEMBL2004192 0.82 ALDH1A1 (0.51) LMNAALDH1A1MAPTPLA2G2AMEN1
SCHEMBL2004801 0.82 LMNA (0.47) LMNASMN1; SMN2ALDH1A1AHRMAPT

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