SCHEMBL2004508

SCHEMBL2004508

O=C(c1ncc(-c2ccccc2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
PKM P14618 2/20 0.42
ALDH1A1 P00352 2/20 0.42
FAAH O00519 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41

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
SCHEMBL2005326 0.93 MEN1 (0.43) MAPTALDH1A1FAAHKDM4ELMNA
SCHEMBL1999528 0.92 ALOX5 (0.37) MAPTGAAPKMALDH1A1FAAH
SCHEMBL2004090 0.91 PTGES2 (0.40) MAPTGAAPKMALDH1A1FAAH
SCHEMBL2001701 0.90 MEN1 (0.42) FAAHMEN1KMT2APTGES2PTGES
SCHEMBL1998892 0.89 ALDH1A1 (0.45) MAPTALDH1A1FAAHKDM4ELMNA
SCHEMBL2007718 0.89 L3MBTL1 (0.43) MAPTGAAPKMALDH1A1FAAH
SCHEMBL1999580 0.89 MAPT (0.39) MAPTGAAPKMALDH1A1FAAH
SCHEMBL1999493 0.88 FAAH (0.43) FAAHCES1
SCHEMBL2003596 0.88 PLA2G2A (0.48) MAPTPKMALDH1A1FAAHLMNA
SCHEMBL2008374 0.87 ALOX5AP (0.44) ALDH1A1KDM4EKMT2AALOX5APPLA2G2A

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