SCHEMBL16613243

SCHEMBL16613243

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5ccc6c(ccn6-c6ccccc6)c54)nc4cscc34)c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL16613238 0.95 KDM4E (0.30) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL16613249 0.94 ALDH1A1 (0.34) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL16613237 0.94 ALDH1A1 (0.35) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL15596413 0.91 ALDH1A1 (0.38) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL16613239 0.89
SCHEMBL16613230 0.89 PTGER1 (0.32)
SCHEMBL16613231 0.89
SCHEMBL16613570 0.87 KDM4E (0.31) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL16613242 0.86 KDM4E (0.31) KDM4E
SCHEMBL15596400 0.86 ALDH1A1 (0.38) KDM4EALDH1A1MAPTHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed