SCHEMBL2003159

SCHEMBL2003159

CCOc1ccc2c(c1)c(C(=O)c1cnc(-c3ccncc3)o1)c(Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 9/20 0.46
ALOX5 P09917 4/20 0.46
CHRNA7 P36544 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
RGS12 O14924 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
GNAI1 P63096 1/20 0.38
PMP22 Q01453 1/20 0.38
HIF1A Q16665 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
SCHEMBL2005932 0.92 MEN1 (0.46) ALOX5APALOX5LMNAMAPTALDH1A1
SCHEMBL2004203 0.92 ALOX5AP (0.45) ALOX5APALOX5ALDH1A1CYP3A4CYP2C9
SCHEMBL2007346 0.92 ALOX5AP (0.39) ALOX5APALOX5LMNAMAPTALDH1A1
SCHEMBL2002164 0.91 ALOX5AP (0.45) ALOX5APALOX5LMNAMAPTALDH1A1
SCHEMBL1997676 0.89 ALOX5AP (0.45) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL2006285 0.89 HSD17B10 (0.39) ALOX5APALOX5LMNAMAPTALDH1A1
SCHEMBL2005411 0.89 ALOX5AP (0.42) ALOX5APALOX5LMNAMAPTALDH1A1
SCHEMBL2005841 0.88 MAPK1 (0.47) ALOX5APALOX5LMNAMAPTALDH1A1
SCHEMBL2001978 0.88 FAAH (0.45) ALOX5APALOX5MAPTALDH1A1CYP2C9
SCHEMBL2007363 0.87 ALOX5AP (0.40) ALOX5APALOX5LMNAMAPTALDH1A1

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