SCHEMBL6940392

SCHEMBL6940392

Cc1c(Cl)nc(Nc2ccc3c(c2)OCO3)nc1Oc1ccc(-n2ccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 14/20 0.61
GAA P10253 4/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL6945095 0.87 NOS2 (0.59) NOS2GAAMAPTALDH1A1
SCHEMBL6941212 0.84 NOS2 (0.72) NOS2MAPTTSHRMEN1KMT2A
SCHEMBL6937888 0.84 NOS2 (0.72) NOS2MAPTTSHRMEN1KMT2A
SCHEMBL6941446 0.84 NOS2 (0.61) NOS2GAALMNAMAPTTSHR
SCHEMBL6947390 0.84 NOS2 (0.61) NOS2GAALMNAMAPTTSHR
SCHEMBL6946779 0.81 NOS2 (0.61) NOS2MAOAMAOB
SCHEMBL6946080 0.80 NOS2 (0.59) NOS2MAOAMAOB
SCHEMBL6942481 0.80 NOS2 (0.61) NOS2MAOAMAOB
SCHEMBL6940223 0.77 NOS2 (0.75) NOS2MAPTTSHRALDH1A1MEN1
SCHEMBL6942303 0.77 NOS2 (0.75) NOS2MAPTTSHRALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268471-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AG (DE) 2003-10-15 EP disclosed
EP-1268471-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-02 EP disclosed
WO-2001072744-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2001-10-04 WO disclosed