SCHEMBL2005140

SCHEMBL2005140

O=C(c1nnc(-c2ccccc2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 6/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
ALOX12 P18054 1/20 0.38
EPHX2 P34913 1/20 0.36
GAA P10253 3/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 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
SCHEMBL2004704 0.95 LMNA (0.38) LMNAALDH1A1MAPTALOX12EPHX2
SCHEMBL2002445 0.93 LMNA (0.43) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2012451 0.92 LMNA (0.42) LMNAALDH1A1MAPTALOX12EPHX2
SCHEMBL2004562 0.92 RET (0.37) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2002347 0.91 PPARG (0.37) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2006137 0.90 MAPT (0.42) L3MBTL1LMNAALDH1A1MAPTGAA
SCHEMBL2003008 0.90 PLA2G2A (0.40) LMNAALDH1A1MAPTTSHRPKM
SCHEMBL2005971 0.89 L3MBTL1 (0.43) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2008404 0.89 L3MBTL1 (0.39) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2002744 0.88 F2RL3 (0.40) LMNAALDH1A1MAPTTSHRNPSR1

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