SCHEMBL2004829

SCHEMBL2004829

COc1ccc2c(c1)c(C(=O)c1nnc(-c3ccncc3)s1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.50
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
APOBEC3G Q9HC16 1/20 0.42
APOBEC3B Q9UH17 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 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
SCHEMBL2012463 0.92 LMNA (0.56) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL2002890 0.91 AHR (0.49) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL2003656 0.89 AHR (0.49) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL2004404 0.87 AHR (0.49) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL2004951 0.86 AHR (0.54) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL1998380 0.86 AHR (0.49) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL2004801 0.86 LMNA (0.47) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL2008365 0.86 AHR (0.51) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL2003635 0.86 LMNA (0.48) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL2005436 0.85 LMNA (0.48) AHRLMNAALDH1A1SMN1; SMN2MAPT

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