SCHEMBL14600548

SCHEMBL14600548

CCN1CCCC1CNc1nc(Nc2ccc(O)c3ccccc23)nc(NC2CCCCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
ACHE P22303 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
VNN1 O95497 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR1 P21453 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 1/20 0.36
IL1B P01584 1/20 0.36
GLP1R P43220 1/20 0.36

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
SCHEMBL4832867 0.89 ACHE (0.40) ACHEKDM4EALDH1A1HSD17B10TP53
SCHEMBL4829629 0.89 ACHE (0.40) ACHEKDM4EALDH1A1HSD17B10TP53
SCHEMBL4836544 0.84 KDM4E (0.46) ACHEKDM4EALDH1A1HSD17B10TP53
SCHEMBL4839424 0.83 MAPK8 (0.46) ACHEKDM4EALDH1A1HSD17B10TP53
SCHEMBL4835587 0.83 SIRT5 (0.48) ACHEKDM4EALDH1A1HSD17B10TP53
SCHEMBL4837847 0.83 KDM4E (0.43) ACHEKDM4EALDH1A1HSD17B10TP53
SCHEMBL14268895 0.83 ACHE (0.47) ACHEKDM4EALDH1A1HSD17B10TP53
SCHEMBL5553489 0.82 VNN1 (0.41) VNN1S1PR1RAB9ADRD2IL1B
SCHEMBL4838456 0.82 DRD2 (0.41) VNN1RAB9ADRD2IL1B
SCHEMBL5553435 0.82 CTSS (0.40) VNN1RAB9ADRD2IL1B

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-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed