SCHEMBL4384405

SCHEMBL4384405

Cc1ccc2c(c1)c(C(=O)C(=O)Nc1ccc(Cl)cc1)c(Cl)n2Cc1ccc(Cl)cc1Cl.O=C(Nc1ccc(Cl)cc1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
PLA2G4A P47712 1/20 0.44
CNR1 P21554 1/20 0.42
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
USP2 O75604 1/20 0.40
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 3/20 0.38
AKR1B1 P15121 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX12 P18054 1/20 0.38
TP53 P04637 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
SCHEMBL4097912 0.99 FAAH (0.51) FAAHPLA2G4ACNR1MAPTSMN1; SMN2
SCHEMBL3004050 0.94 CNR1 (0.46) FAAHPLA2G4ACNR1MAPTSMN1; SMN2
SCHEMBL2994451 0.93 FAAH (0.48) FAAHPLA2G4AMAPTSMN1; SMN2MEN1
SCHEMBL4097877 0.92 FAAH (0.51) FAAHMAPTSMN1; SMN2USP2MEN1
SCHEMBL4384411 0.92 FAAH (0.49) FAAHPLA2G4AMAPTSMN1; SMN2MEN1
SCHEMBL3003208 0.92 FAAH (0.53) FAAHPLA2G4ASMN1; SMN2USP2MEN1
SCHEMBL3010526 0.90 FAAH (0.49) FAAHPLA2G4AMAPTSMN1; SMN2MEN1
SCHEMBL4383595 0.90 FAAH (0.61) FAAHPLA2G4ACNR1MAPTMEN1
SCHEMBL4094004 0.88 L3MBTL1 (0.44) FAAHPLA2G4ACNR1MAPTSMN1; SMN2
SCHEMBL4384519 0.88 FAAH (0.48) FAAHMAPTSMN1; SMN2USP2MEN1

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