SCHEMBL2000325

SCHEMBL2000325

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
LMNA P02545 5/20 0.41
HPGD P15428 4/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 3/20 0.41
TSHR P16473 3/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 5/20 0.38
RXFP1 Q9HBX9 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN11 Q06124 1/20 0.37
GSK3B P49841 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
SCHEMBL2008469 0.95 RAB9A (0.42) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL1998393 0.91 TP53 (0.47) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL2005780 0.90 LMNA (0.41) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL2006152 0.90 LMNA (0.43) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL2003476 0.90 SMPD1 (0.41) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL2002547 0.90 RAB9A (0.39) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL2007846 0.89 NPC1 (0.40) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL2004749 0.89 L3MBTL1 (0.36) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL2001583 0.87 LMNA (0.40) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL2006491 0.86 GRM5 (0.42) RAB9ALMNAHPGDNPC1SMN1; SMN2

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