SCHEMBL16613558

SCHEMBL16613558

c1ccc(-c2ccccc2-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(ccn6-c6ccccc6)c54)cc3)nc3occc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
PTK2B Q14289 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL16613699 0.91
SCHEMBL15596613 0.87 KMT2A (0.37) MAPTKMT2APTK2BNPSR1
SCHEMBL16613588 0.87 KDM4E (0.32)
SCHEMBL20408511 0.82 KDM4E (0.41) MAPTKMT2APTK2BNPSR1
SCHEMBL15596605 0.82 KMT2A (0.37) MAPTKMT2APTK2BNPSR1
SCHEMBL20427185 0.81 KDM4E (0.40) MAPTKMT2APTK2BNPSR1
SCHEMBL16613701 0.81
SCHEMBL16613789 0.80
SCHEMBL15857164 0.80 KDM4E (0.39) MAPTKMT2APTK2BNPSR1
SCHEMBL15802274 0.80 KDM4E (0.41) MAPTKMT2APTK2BNPSR1

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