SCHEMBL16066434

SCHEMBL16066434

c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6c6cc7ccccc7n6c5ccc43)n2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CCR1 P32246 3/20 0.37
CCR5 P51681 3/20 0.37
CCR8 P51685 3/20 0.37
HSP90AA1 P07900 2/20 0.37
TP53 P04637 2/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPY5R Q15761 1/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL16066871 0.94 KDM4E (0.36) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL16066241 0.93 KDM4E (0.37) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL16066619 0.89 MCL1 (0.36) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL16066756 0.88 MCL1 (0.35) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL16066167 0.87 KDM4E (0.40) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL16066393 0.87 COMT (0.36) KDM4ELMNASMN1; SMN2HSP90AA1NPY5R
SCHEMBL16066379 0.87 MKNK1 (0.35) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL16066985 0.86 KDM4E (0.39) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL16066358 0.86 MEN1 (0.34) KDM4EALDH1A1HPGDRAB9APARP1
SCHEMBL17033790 0.86 CCR1 (0.39) 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