SCHEMBL5747871

SCHEMBL5747871

CCCCCCc1ccc2c(N)c3ccccc3cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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 4/20 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
GPR3 P46089 1/20 0.43
RORA P35398 1/20 0.43
RORC P51449 1/20 0.43

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
SCHEMBL5745752 1.00 MAPT (0.46) MAPTKDM4EUSP2ALDH1A1GLA
SCHEMBL5746132 1.00 MAPT (0.46) MAPTKDM4EUSP2ALDH1A1GLA
SCHEMBL5750243 0.91 RORA (0.46) MAPTKDM4EUSP2ALDH1A1GLA
SCHEMBL5747112 0.91 RORA (0.46) MAPTKDM4EUSP2ALDH1A1GLA
SCHEMBL5748433 0.91 RORA (0.46) MAPTKDM4EUSP2ALDH1A1GLA
SCHEMBL31236758 0.84 MAPT (0.50) MAPTKDM4EALDH1A1CYP3A4GAA
SCHEMBL22288223 0.83 CYP1A2 (0.50) MAPTKDM4EALDH1A1GLAGAA
SCHEMBL5747932 0.82 PARP1 (0.49) TLR8HTR2ADRD2SLC6A2HTR2C
SCHEMBL5747036 0.82 PARP1 (0.49) TLR8HTR2ADRD2SLC6A2HTR2C
SCHEMBL5749210 0.82 PARP1 (0.49) TLR8HTR2ADRD2SLC6A2HTR2C

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