SCHEMBL16613577

SCHEMBL16613577

c1cc(-c2cccc3ccccc23)cc(-c2nc(-n3c4ccccc4c4c5ccccc5ccc43)nc3occc23)c1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
ENPP3 O14638 1/20 0.30
ENPP1 P22413 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
SCHEMBL16613658 0.92 ENPP1 (0.36) ENPP3ENPP1
SCHEMBL16613489 0.89 CYP1A1 (0.30)
SCHEMBL16613376 0.86 PIK3CD (0.32) ALDH1A1MAPTENPP3ENPP1
SCHEMBL16613537 0.85 KDM4E (0.33) ENPP3ENPP1
SCHEMBL16613303 0.83 FLT3 (0.31) ALDH1A1MAPTENPP3ENPP1
SCHEMBL16613535 0.82
SCHEMBL16613490 0.81 KDM4E (0.33)
SCHEMBL16613554 0.80 VCP (0.31)
SCHEMBL16613455 0.80 NQO2 (0.31) ALDH1A1MAPT
SCHEMBL16613493 0.78 KDM4E (0.35) ENPP3ENPP1

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