SCHEMBL2004749

SCHEMBL2004749

O=C(c1nc(-c2ccncn2)no1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 4/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
VDR P11473 1/20 0.31

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
SCHEMBL2003287 0.95 LMNA (0.34) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2007239 0.91 TP53 (0.35) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2002897 0.90 LMNA (0.40) LMNAALDH1A1MAPTALOX12SMN1; SMN2
SCHEMBL2003479 0.90 MAPT (0.36) L3MBTL1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL2007750 0.90 L3MBTL1 (0.34) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2003124 0.90 PLA2G2A (0.37) L3MBTL1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL2006491 0.90 GRM5 (0.42) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2003234 0.89 LMNA (0.35) LMNAMAPTSMN1; SMN2TP53CYP2C9
SCHEMBL2000325 0.89 RAB9A (0.41) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2006939 0.86 L3MBTL1 (0.37) L3MBTL1LMNAALDH1A1MAPTALOX12

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