Sugi Predict

Sugi Predict / Compounds / SCHEMBL16613520

SCHEMBL16613520

SCHEMBL16613520

c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4c3ccn4-c3ccccc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PTGER4 P35408 1/20 0.34
▸ NPY5R Q15761 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL16613518 0.92 KDM4E (0.40) ATMKDM4EL3MBTL1PTGER4NPY5R
SCHEMBL16613265 0.92 L3MBTL1 (0.37) ATMKDM4EL3MBTL1MEN1KMT2A
SCHEMBL16613637 0.91 L3MBTL1 (0.39) ATMKDM4EL3MBTL1PTGER4NPY5R
SCHEMBL16613584 0.89 KDM4E (0.38) ATMKDM4EL3MBTL1PTGER4NPY5R
SCHEMBL16613519 0.89 KDM4E (0.38) ATMKDM4EL3MBTL1PTGER4NPY5R
SCHEMBL16613585 0.88 KDM4E (0.37) ATMKDM4EL3MBTL1PTGER4NPY5R
SCHEMBL16613695 0.85 KDM4E (0.36) ATMKDM4EL3MBTL1PTGER4RXFP1
SCHEMBL17691607 0.84 L3MBTL1 (0.51) ATMKDM4EL3MBTL1PTGER4NPY5R
SCHEMBL30532182 0.84 L3MBTL1 (0.51) ATMKDM4EL3MBTL1PTGER4NPY5R
SCHEMBL671641 0.84 L3MBTL1 (0.51) ATMKDM4EL3MBTL1PTGER4NPY5R

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