SCHEMBL2007918

SCHEMBL2007918

CCOc1ccc2c(c1)c(C(=O)c1noc(-c3ccccc3)n1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
EDNRB P24530 4/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NTRK1 P04629 1/20 0.37
SLC26A4 O43511 1/20 0.37
POLB P06746 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
F2RL3 Q96RI0 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
SCHEMBL2005122 0.93 S1PR1 (0.38) ALOX5APLMNASMN1; SMN2EDNRBMAPT
SCHEMBL2007043 0.92 PLA2G2A (0.42) ALOX5APLMNAMAPTALDH1A1MAPK1
SCHEMBL2004267 0.92 S1PR1 (0.42) ALOX5APLMNASMN1; SMN2MAPTNTRK1
SCHEMBL2003154 0.91 ALOX5AP (0.42) ALOX5APSMN1; SMN2MAPTNTRK1S1PR1
SCHEMBL2009008 0.90 LMNA (0.41) LMNASMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL2006974 0.90 LMNA (0.38) ALOX5APLMNASMN1; SMN2EDNRBMAPT
SCHEMBL2004165 0.88 LMNA (0.38) ALOX5APLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL2005201 0.87 L3MBTL1 (0.43) ALOX5APLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL2002777 0.86 LMNA (0.45) LMNASMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL2002148 0.86 LMNA (0.34) ALOX5APLMNASMN1; SMN2EDNRBMAPT

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