SCHEMBL5746458

SCHEMBL5746458

CCCCCCCCc1c[c]c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
TLR8 Q9NR97 6/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TLR7 Q9NYK1 2/20 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
SCHEMBL5748087 1.00 KCNH2 (0.50) KCNH2TLR8LMNATSHRKDM4E
SCHEMBL5746414 1.00 KCNH2 (0.50) KCNH2TLR8LMNATSHRKDM4E
SCHEMBL1977035 0.98 KCNH2 (0.47) KCNH2TLR8LMNATSHRKDM4E
SCHEMBL7849182 0.94 KDM4E (0.43) KCNH2TLR8TSHRKDM4EALDH1A1
SCHEMBL29089912 0.87 KDM4E (0.50) TLR8LMNAKDM4EALDH1A1GAA
SCHEMBL5068847 0.80 TSHR (0.36) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL5750423 0.80 KDM4E (0.40) KCNH2KDM4EALDH1A1GAAHPGD
SCHEMBL797638 0.73 KCNH2 (0.61) KCNH2TLR8LMNATSHRALDH1A1
SCHEMBL6115301 0.73 KCNH2 (0.61) KCNH2TLR8LMNATSHRALDH1A1
SCHEMBL6114801 0.73 KCNH2 (0.61) KCNH2TLR8LMNATSHRALDH1A1

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