SCHEMBL4386885

SCHEMBL4386885

Cc1cc(NC(=O)C(=O)c2c(Cl)n(Cc3ccc(Cl)cc3Cl)c3ccc(Cl)cc23)ccn1.NC(=O)C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
JAK2 O60674 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
THRB P10828 1/20 0.35
PLA2G4A P47712 1/20 0.35
SORT1 Q99523 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.34
KCNH2 Q12809 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
SCHEMBL3003168 0.94 FAAH (0.51) FAAHSMARCA2SMARCA4MAPK1SMN1; SMN2
SCHEMBL3005756 0.90 FAAH (0.57) FAAHSMARCA2SMARCA4MAPK1SMN1; SMN2
SCHEMBL2999250 0.89 FAAH (0.48) FAAHSMARCA2SMARCA4MAPK1SMN1; SMN2
SCHEMBL2996494 0.87 FAAH (0.46) FAAHSMARCA2SMARCA4SMN1; SMN2LMNA
SCHEMBL4375470 0.87 FAAH (0.42) FAAHSMARCA2SMARCA4SMN1; SMN2LMNA
SCHEMBL3005605 0.87 FAAH (0.52) FAAHSMARCA2SMARCA4MAPK1SMN1; SMN2
SCHEMBL3003646 0.86 FAAH (0.47) FAAHSMARCA2SMARCA4MAPK1SMN1; SMN2
SCHEMBL4083369 0.85 FAAH (0.48) FAAHSMARCA2SMARCA4LMNAALDH1A1
SCHEMBL2993334 0.84 FAAH (0.62) FAAHSMARCA2SMARCA4PLA2G4A
SCHEMBL4100722 0.83 FAAH (0.47) FAAHSMARCA2SMARCA4MAPK1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed