SCHEMBL2007346

SCHEMBL2007346

CCOc1ccc2c(c1)c(C(=O)c1cnc(-c3ccncc3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.39
ALOX5 P09917 2/20 0.39
F10 P00742 2/20 0.37
SLC26A4 O43511 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2011328 0.93 LMNA (0.40) ALOX5APSLC26A4POLBLMNASMN1; SMN2
SCHEMBL2003542 0.93 MAPT (0.39) ALOX5APALOX5F10LMNAMAPT
SCHEMBL2003159 0.92 ALOX5AP (0.46) ALOX5APALOX5LMNASMN1; SMN2MAPT
SCHEMBL2006172 0.92 ALOX5AP (0.39) ALOX5APALOX5SLC26A4POLBLMNA
SCHEMBL2004625 0.91 CYP2C9 (0.40) ALOX5APALOX5F10LMNAMAPT
SCHEMBL2006586 0.90 ALOX5AP (0.39) ALOX5APALOX5F10SLC26A4POLB
SCHEMBL2005115 0.90 ALOX5AP (0.37) ALOX5APALOX5F10SLC26A4POLB
SCHEMBL2012281 0.89 FAAH (0.38) ALOX5APALOX5LMNASMN1; SMN2MAPT
SCHEMBL2003297 0.88 L3MBTL1 (0.38) ALOX5APALOX5F10LMNASMN1; SMN2
SCHEMBL2007246 0.88 LMNA (0.38) ALOX5APALOX5SLC26A4POLBLMNA

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