SCHEMBL2005201

SCHEMBL2005201

O=C(c1noc(-c2ccccc2)n1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCR2 P41597 1/20 0.38
VDR P11473 1/20 0.37
GAA P10253 2/20 0.37
PKM P14618 2/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL2009008 0.95 LMNA (0.41) L3MBTL1LMNAMAPTALDH1A1ALOX12
SCHEMBL2005759 0.92 L3MBTL1 (0.39) L3MBTL1LMNAMAPTALDH1A1ALOX12
SCHEMBL2002777 0.91 LMNA (0.45) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2006526 0.91 L3MBTL1 (0.39) L3MBTL1LMNAMAPTALDH1A1ALOX12
SCHEMBL2004165 0.90 LMNA (0.38) L3MBTL1LMNAMAPTALDH1A1ALOX12
SCHEMBL2001735 0.90 MAPT (0.42) L3MBTL1LMNAMAPTALDH1A1ALOX12
SCHEMBL2007043 0.88 PLA2G2A (0.42) L3MBTL1LMNAMAPTALDH1A1CYP1A2
SCHEMBL2005836 0.88 L3MBTL1 (0.41) L3MBTL1LMNAMAPTALDH1A1ALOX12
SCHEMBL2007918 0.87 ALOX5AP (0.40) LMNAMAPTALDH1A1NPSR1KDM4E
SCHEMBL1999738 0.86 CYP2C9 (0.39) L3MBTL1LMNAMAPTALDH1A1ALOX12

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