SCHEMBL2002445

SCHEMBL2002445

O=C(c1nnc(-c2ccncc2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
MAPK1 P28482 3/20 0.43
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
CASP1 P29466 1/20 0.34
USP2 O75604 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MEN1 O00255 1/20 0.32
SRPK1 Q96SB4 1/20 0.32

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
SCHEMBL2002838 0.95 LMNA (0.45) LMNAMAPK1KMT2ATSHRGSK3A
SCHEMBL2005140 0.93 L3MBTL1 (0.41) LMNAMAPK1KMT2ATSHRL3MBTL1
SCHEMBL2009477 0.91 LMNA (0.42) LMNAMAPK1KMT2ATSHRGSK3A
SCHEMBL2004562 0.91 RET (0.37) LMNAMAPK1L3MBTL1PKMALDH1A1
SCHEMBL2003530 0.90 MAPK1 (0.45) LMNAMAPK1KMT2ATSHRGSK3A
SCHEMBL2000262 0.90 MAPK1 (0.48) LMNAMAPK1KMT2ATSHRPKM
SCHEMBL2007059 0.90 MAPK1 (0.41) LMNAMAPK1KMT2ATSHRGSK3A
SCHEMBL2000320 0.89 LMNA (0.46) LMNAMAPK1KMT2ATSHRGSK3A
SCHEMBL2002081 0.89 L3MBTL1 (0.35) LMNAMAPK1L3MBTL1ALDH1A1MAPT
SCHEMBL2008151 0.88 LMNA (0.39) LMNAMAPK1KMT2ATSHRGSK3A

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 3 patents. 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
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed