SCHEMBL5748433

SCHEMBL5748433

CCCCCCCCCCc1ccc2cc3ccccc3c(N)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.46
RORC P51449 1/20 0.46
RORB Q92753 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TLR8 Q9NR97 3/20 0.44
HTR2A P28223 3/20 0.44
DRD2 P14416 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL5750243 1.00 RORA (0.46) RORARORCRORBMAPTKDM4E
SCHEMBL5747112 1.00 RORA (0.46) RORARORCRORBMAPTKDM4E
SCHEMBL5746132 0.91 MAPT (0.46) RORARORCRORBMAPTKDM4E
SCHEMBL5745752 0.91 MAPT (0.46) RORARORCRORBMAPTKDM4E
SCHEMBL5747871 0.91 MAPT (0.46) RORARORCRORBMAPTKDM4E
SCHEMBL29104758 0.84 RORA (0.47) RORARORCRORBMAPTKDM4E
SCHEMBL29104770 0.84 RORA (0.47) RORARORCRORBMAPTKDM4E
SCHEMBL28851361 0.82 CYP1A2 (0.47) RORARORCRORBMAPTKDM4E
SCHEMBL31236758 0.81 MAPT (0.50) RORARORCRORBMAPTKDM4E
SCHEMBL5749367 0.81 CYP1A2 (0.55) RORARORCRORBMAPTKDM4E

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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed