SCHEMBL5602170

SCHEMBL5602170

CC(CC1CCCCC1)N1C(=O)c2cccc(N)c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 3/20 0.46
TMEM97 Q5BJF2 3/20 0.45
HTR2B P41595 2/20 0.45
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
TNF P01375 2/20 0.40
HTR2A P28223 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CCKBR P32239 1/20 0.39
DPP4 P27487 1/20 0.39
PTPRC P08575 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 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
SCHEMBL5601974 0.85 TDP1 (0.51) KMT2ACCKBRPTPRCPDE4APDE4B
SCHEMBL5600097 0.85 TDP1 (0.51) KMT2ACCKBRPTPRCPDE4APDE4B
SCHEMBL5600105 0.82 TNF (0.45) KDM4EMEN1KMT2ATNFPTPRC
SCHEMBL23309748 0.78 PDE4A (0.49) PABPC1KDM4EMEN1KMT2ATNF
SCHEMBL31259860 0.74 ALDH1A1 (0.45) PABPC1TMEM97HTR2BKDM4EMEN1
Hydrochloric Acid SCHEMBL6430046 0.74 PDE4A (0.44) PABPC1TMEM97HTR2BKDM4EMEN1
SCHEMBL5326245 0.74 DPP4 (0.51) PABPC1TMEM97HTR2BKDM4EMEN1
SCHEMBL31259865 0.74 DPP4 (0.51) PABPC1TMEM97HTR2BKDM4EMEN1
SCHEMBL2062436 0.71 TDP1 (0.49) KMT2APTPRCPDE4APDE4BPDE4C
SCHEMBL13143029 0.70 DPP4 (0.47) PABPC1TMEM97HTR2BKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007029076-A1 ISOINDOLE DERIVATIVES AS ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO claimed