SCHEMBL4375470

SCHEMBL4375470

NC(=O)C=O.O=C(Nc1ccnc(Cl)c1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
SMARCA2 P51531 4/20 0.33
SMARCA4 P51532 3/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GALR3 O60755 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
VDR P11473 1/20 0.33
THRB P10828 1/20 0.32
JAK2 O60674 1/20 0.31

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
SCHEMBL3005624 0.94 FAAH (0.46) FAAHL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL4083369 0.89 FAAH (0.48) FAAHALDH1A1LMNAMAPTALOX12
SCHEMBL4386885 0.87 FAAH (0.46) FAAHL3MBTL1ALDH1A1LMNASMARCA2
SCHEMBL2999250 0.86 FAAH (0.48) FAAHL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL3007953 0.85 FAAH (0.57) FAAHALDH1A1LMNAMAPTALOX12
SCHEMBL3005180 0.85 JAK2 (0.42) FAAHL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL3006423 0.84 LMNA (0.45) FAAHALDH1A1LMNAMAPTALOX12
SCHEMBL3000300 0.84 FAAH (0.43) FAAHL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL3006579 0.84 FAAH (0.56) FAAHALDH1A1LMNAMAPTSMARCA2
SCHEMBL3000204 0.83 FAAH (0.51) FAAHALDH1A1LMNAMAPTSMN1; 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