SCHEMBL17899341

SCHEMBL17899341

c1cnc2c(c1)cc(-c1ccc(-c3cc(-c4ccc(-c5cc6cccnc6c6ncccc56)cc4)cc(-c4ccc(-c5cc6cccnc6c6ncccc56)cc4)c3)cc1)c1cccnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.56
CCR1 P32246 5/20 0.56
CCR8 P51685 5/20 0.56
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 4/20 0.47
CCR5 P51681 3/20 0.47
HSP90AA1 P07900 2/20 0.47
LMNA P02545 2/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
MMP2 P08253 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MMP9 P14780 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MMP8 P22894 1/20 0.47
THPO P40225 1/20 0.47

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
SCHEMBL17125611 0.96 CCR1 (0.59) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL17899329 0.94 CCR1 (0.61) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL29444844 0.91 L3MBTL1 (0.61) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL2450872 0.91 L3MBTL1 (0.61) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL30555210 0.91 L3MBTL1 (0.61) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL12955152 0.88 L3MBTL1 (0.47) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL29441295 0.87 CCR1 (0.58) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL913533 0.87 CCR1 (0.58) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL18806863 0.87 CCR1 (0.58) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL23339299 0.86 CCR1 (0.62) L3MBTL1CCR1CCR8MAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed