SCHEMBL2003907

SCHEMBL2003907

O=C(c1cnc(-c2ccccn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
ALOX12 P18054 1/20 0.40
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
S1PR3 Q99500 2/20 0.36
OPRK1 P41145 3/20 0.35
GAA P10253 3/20 0.35
PKM P14618 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2000474 0.95 LMNA (0.41) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2004385 0.92 LMNA (0.43) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL1999222 0.92 MAPT (0.40) L3MBTL1LMNAALDH1A1MAPTCYP1A2
SCHEMBL2008873 0.91 LMNA (0.38) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL1999915 0.90 L3MBTL1 (0.39) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2005712 0.89 L3MBTL1 (0.37) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2008306 0.89 L3MBTL1 (0.43) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2008123 0.89 ACHE (0.41) LMNAALDH1A1MAPTALOX12TSHR
SCHEMBL2007246 0.88 LMNA (0.38) LMNAALDH1A1MAPTALOX12CYP2C9
SCHEMBL2007882 0.87 HSD17B10 (0.40) LMNAALDH1A1MAPTALOX12TSHR

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