SCHEMBL16066985

SCHEMBL16066985

c1ccc(-c2cccc(-n3c4ccccc4c4cc5c6ccccc6c6cc7ccccc7n6c5cc43)n2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CCR1 P32246 3/20 0.39
CCR5 P51681 3/20 0.39
CCR8 P51685 3/20 0.39
HSP90AA1 P07900 2/20 0.39
TP53 P04637 2/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPY5R Q15761 1/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL16066167 0.96 KDM4E (0.40) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL16067234 0.94 KDM4E (0.38) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL16066439 0.94 KDM4E (0.38) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL17033644 0.91 KDM4E (0.39) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL17033457 0.89 CCR1 (0.40) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL17206498 0.88 KDM4E (0.45) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL16066434 0.86 KDM4E (0.37) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL16067018 0.86 MKNK1 (0.36) KDM4ELMNAMAPK1HTTNPC1
SCHEMBL16066963 0.86 KMT2A (0.36) KDM4EL3MBTL1RAB9APARP1
SCHEMBL16067169 0.85 KDM4E (0.38) KDM4ELMNASMN1; SMN2CCR1CCR5

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-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 WO disclosed