SCHEMBL4384043

SCHEMBL4384043

Cc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncn1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl.O=C(Nc1ccncn1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 2/20 0.33
JAK2 O60674 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL4091230 0.96 FAAH (0.43) FAAHEPHX2PTGS1PTGDR2ALDH1A1
SCHEMBL4094085 0.95 L3MBTL1 (0.37) FAAHL3MBTL1EPHX2ALDH1A1TP53
SCHEMBL4093988 0.91 EPHX2 (0.36) FAAHEPHX2ALDH1A1LMNAMAPK1
SCHEMBL4562856 0.87 FAAH (0.53) FAAHPTGS1PTGDR2TP53HTT
SCHEMBL4101976 0.87 FAAH (0.53) FAAHPTGS1PTGDR2TP53HTT
SCHEMBL4094189 0.87 PLA2G2A (0.41) FAAHPTGDR2ALDH1A1LMNAMEN1
SCHEMBL3011555 0.86 FAAH (0.44) FAAHL3MBTL1EPHX2PTGS1PTGDR2
SCHEMBL4093763 0.86 LMNA (0.41) EPHX2ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL4090379 0.86 FAAH (0.42) FAAHALDH1A1PDE4APDE4BPDE4C
SCHEMBL2995899 0.86 FAAH (0.46) FAAHL3MBTL1PTGS1PTGDR2ALDH1A1

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