SCHEMBL4384201

SCHEMBL4384201

Cc1cc(NC(=O)C(=O)c2c(C(F)(F)F)n(Cc3ccc(Cl)cc3Cl)c3ccc(Cl)cc23)ccn1.Cc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(C)c1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.53
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
NR2E1 Q9Y466 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
JAK2 O60674 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX2 P34913 1/20 0.34
PLA2G4A P47712 1/20 0.34
SORT1 Q99523 2/20 0.34
P2RX7 Q99572 1/20 0.33
THRB P10828 1/20 0.33
USP2 O75604 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
SCHEMBL4083379 0.99 FAAH (0.53) FAAHSMARCA2SMARCA4NR2E1PTGS1
SCHEMBL4100722 0.97 FAAH (0.47) FAAHSMARCA2SMARCA4NR2E1MAPK1
SCHEMBL3004476 0.93 FAAH (0.53) FAAHSMARCA2SMARCA4NR2E1PTGS1
SCHEMBL4088941 0.92 FAAH (0.45) FAAHSMARCA2SMARCA4NR2E1MAPK1
SCHEMBL4089223 0.90 FAAH (0.43) FAAHSMARCA2SMARCA4NR2E1SMN1; SMN2
SCHEMBL3004382 0.90 FAAH (0.49) FAAHNR2E1TP53SMN1; SMN2JAK2
SCHEMBL4101968 0.90 FAAH (0.49) FAAHPTGS1PTGDR2MAPK1SMN1; SMN2
SCHEMBL4089355 0.89 FAAH (0.65) FAAHSMARCA2SMARCA4TP53SMN1; SMN2
SCHEMBL4100773 0.89 FAAH (0.45) FAAHSMARCA2SMARCA4NR2E1MAPK1
SCHEMBL3005756 0.88 FAAH (0.57) FAAHSMARCA2SMARCA4PTGS1PTGDR2

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