SCHEMBL2008469

SCHEMBL2008469

O=C(c1nc(-c2ccncc2)no1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
LMNA P02545 5/20 0.42
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 4/20 0.42
TP53 P04637 3/20 0.42
TSHR P16473 3/20 0.42
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MAPT P10636 5/20 0.40
DUSP3 P51452 1/20 0.40
PTPN11 Q06124 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
GSK3B P49841 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2000325 0.95 RAB9A (0.41) RAB9ALMNAHPGDSMN1; SMN2NPC1
SCHEMBL1998393 0.94 TP53 (0.47) RAB9ALMNAHPGDSMN1; SMN2NPC1
SCHEMBL2006152 0.93 LMNA (0.43) RAB9ALMNAHPGDSMN1; SMN2NPC1
SCHEMBL2007846 0.93 NPC1 (0.40) RAB9ALMNAHPGDSMN1; SMN2NPC1
SCHEMBL2001583 0.90 LMNA (0.40) RAB9ALMNAHPGDSMN1; SMN2NPC1
SCHEMBL2004345 0.90 SMPD1 (0.41) RAB9ALMNAHPGDSMN1; SMN2NPC1
SCHEMBL2002145 0.90 LMNA (0.43) RAB9ALMNAHPGDSMN1; SMN2NPC1
SCHEMBL2003332 0.89 SMN1; SMN2 (0.39) RAB9ALMNAHPGDSMN1; SMN2NPC1
SCHEMBL2003287 0.88 LMNA (0.34) RAB9ALMNAHPGDSMN1; SMN2NPC1
SCHEMBL2008177 0.87 TP53 (0.47) RAB9ALMNAHPGDSMN1; SMN2NPC1

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