SCHEMBL1999580

SCHEMBL1999580

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
PKM P14618 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
FAAH O00519 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
S1PR3 Q99500 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGES2 Q9H7Z7 4/20 0.38
PTGES O14684 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38

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
SCHEMBL2002560 0.94 MAPT (0.40) MAPTFAAHMEN1KMT2APTGES2
SCHEMBL2002457 0.92 ALOX5 (0.36) MAPTPKMGAAALDH1A1KDM4E
SCHEMBL2008949 0.92 PTGES2 (0.41) MAPTPKMGAAALDH1A1FAAH
SCHEMBL2001077 0.91 PTGES2 (0.41) FAAHMEN1KMT2APTGES2PTGES
SCHEMBL2003933 0.90 ALDH1A1 (0.41) ALDH1A1FAAHKDM4ELMNAMEN1
SCHEMBL2002966 0.90 L3MBTL1 (0.40) MAPTPKMGAAALDH1A1FAAH
SCHEMBL2001846 0.89 FAAH (0.41) FAAH
SCHEMBL2004508 0.89 MAPT (0.42) MAPTPKMGAAALDH1A1FAAH
SCHEMBL2004225 0.89 PLA2G2A (0.45) MAPTPKMALDH1A1FAAHLMNA
SCHEMBL2000328 0.88 ALOX5AP (0.43) ALOX5APALOX5

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