SCHEMBL2009497

SCHEMBL2009497

Cc1ccc2c(c1)c(C(=O)c1nc(-c3ccncn3)no1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
PTGES2 Q9H7Z7 4/20 0.33
ALOX5 P09917 1/20 0.33
ALOX5AP P20292 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 5/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2002063 0.94 ALOX5 (0.33) FAAHMEN1KMT2APTGES2ALOX5
SCHEMBL2002296 0.92 MAPT (0.33) FAAHMEN1KMT2AHTTPTGES2
SCHEMBL2005516 0.91 FAAH (0.33) FAAHMEN1KMT2ATP53RXFP1
SCHEMBL2004491 0.91 LMNA (0.41) FAAHMEN1KMT2AALOX5ALOX5AP
SCHEMBL2004069 0.90 FAAH (0.43) FAAHMEN1KMT2AHTTPTGES2
SCHEMBL2001764 0.90 ALOX5AP (0.39) MEN1KMT2AALOX5ALOX5APMAPT
SCHEMBL2006783 0.89 CNR2 (0.35) MEN1KMT2APTGES2MAPTCYP1A2
SCHEMBL2004417 0.89 TP53 (0.44) FAAHMEN1KMT2AHTTPTGES2
SCHEMBL2005294 0.87 FAAH (0.41) FAAHMEN1KMT2AHTTPTGES2
SCHEMBL4381974 0.86 ALOX5AP (0.38) ALOX5ALOX5APMAPTCYP3A4CYP2C9

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