SCHEMBL16613658

SCHEMBL16613658

c1ccc2c(-c3ccc(-c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc5occc45)cc3)cccc2c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.36
ENPP3 O14638 1/20 0.36
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
FLT3 P36888 1/20 0.30
BMX P51813 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL16613577 0.92 ALDH1A1 (0.30) ENPP1ENPP3
SCHEMBL16613489 0.84 CYP1A1 (0.30)
SCHEMBL16613493 0.84 KDM4E (0.35) ENPP1ENPP3CA12CA1CA2
SCHEMBL16613490 0.83 KDM4E (0.33)
SCHEMBL16613535 0.82
SCHEMBL16613326 0.82 ENPP1 (0.36) ENPP1ENPP3CA12CA1CA2
SCHEMBL16613578 0.80 AHR (0.36)
SCHEMBL16613702 0.79 VCP (0.32) ENPP1ENPP3CA12CA1CA2
SCHEMBL16613543 0.79 FLT3 (0.32) ENPP1ENPP3CA12CA1CA2
SCHEMBL18026433 0.79 MAPK14 (0.33) ENPP1ENPP3CA12CA1CA2

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