SCHEMBL7420966

SCHEMBL7420966

CCC(=O)c1c(CC)n(Cc2ccccc2Cl)c2cc(C(N)=O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TNF P01375 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
DPP4 P27487 3/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL7421847 0.92 ALOX5AP (0.43) ALOX5APKDM4ETNFNOD2NOD1
SCHEMBL7471798 0.91 L3MBTL1 (0.48) ALOX5APKDM4ETNFNOD2NOD1
SCHEMBL7470623 0.91 SLC22A12 (0.45) ALOX5APKDM4ETNFNOD2NOD1
SCHEMBL7420321 0.89 ALOX5AP (0.48) ALOX5APKDM4ETNFNOD2NOD1
SCHEMBL7426971 0.88 L3MBTL1 (0.51) ALOX5APKDM4ETNFNOD2NOD1
SCHEMBL7474701 0.88 MAPT (0.45) KDM4ETNFNOD2NOD1DPP4
SCHEMBL7416231 0.86 ALOX5AP (0.44) ALOX5APKDM4ETNFNOD2NOD1
SCHEMBL7424518 0.85 ALOX5AP (0.43) ALOX5APDPP4ALDH1A1KMT2AMEN1
SCHEMBL7426692 0.84 ALOX5AP (0.43) ALOX5APDPP4ALDH1A1KMT2AMEN1
SCHEMBL7425165 0.83 TP53 (0.44) ALOX5APKDM4ETNFNOD2NOD1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820441-B1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-26 EP disclosed
US-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed
US-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US disclosed
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed