SCHEMBL21537352

SCHEMBL21537352

c1cnc2c(c1)ccc1c(-c3ccc4c(ccc5ccc(-c6ccc(-c7nc8c9ccccc9c9ccccc9c8c8ccccc78)cc6)cc54)c3)ccnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.37
CCR8 P51685 4/20 0.37
CCR5 P51681 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP3A4 P08684 3/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
PMP22 Q01453 2/20 0.33
HIF1A Q16665 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MMP2 P08253 1/20 0.33
CYP2D6 P10635 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MMP8 P22894 1/20 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
SCHEMBL21757131 0.97 CCR1 (0.39) CCR1CCR8CCR5L3MBTL1CYP3A4
SCHEMBL21537360 0.94 CCR1 (0.36) CCR1CCR8CCR5L3MBTL1CYP3A4
SCHEMBL21757073 0.94 CCR1 (0.40) CCR1CCR8CCR5L3MBTL1CYP3A4
SCHEMBL21537356 0.94 CCR1 (0.40) CCR1CCR8CCR5L3MBTL1CYP3A4
SCHEMBL21757063 0.93 CYP11B1 (0.37) CCR1CCR8CCR5L3MBTL1CYP3A4
SCHEMBL21537367 0.91 CCR1 (0.38) CCR1CCR8CCR5L3MBTL1CYP3A4
SCHEMBL21757064 0.89 CYP11B1 (0.39) CCR1CCR8CCR5L3MBTL1CYP3A4
SCHEMBL21757228 0.89 CCR1 (0.43) CCR1CCR8CCR5L3MBTL1CYP3A4
SCHEMBL21757078 0.87 CCR1 (0.39) CCR1CCR8CCR5L3MBTL1CYP3A4
SCHEMBL21757138 0.87 CCR1 (0.39) CCR1CCR8CCR5L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3561892-B1 ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO LTD (KR) 2023-05-10 EP disclosed
US-11302873-B2 Organic light-emitting device LT MATERIALS CO, LTD. (KR) 2022-04-12 US disclosed
US-20200066996-A1 ORGANIC LIGHT-EMITTING DEVICE HEESUNG MATERIAL LTD. (KR) 2020-02-27 US disclosed
EP-3561892-A1 ORGANIC LIGHT-EMITTING DEVICE Heesung Material Ltd. (KR) 2019-10-30 EP disclosed