SCHEMBL24378549

SCHEMBL24378549

C1=Cc2c(c3c(c4cc(-c5ccc6ccc7cccnc7c6n5)ccc24)C=CCC3)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.37
CCR8 P51685 5/20 0.37
MAPT P10636 4/20 0.37
CCR5 P51681 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HTT P42858 2/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MMP2 P08253 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
MMP8 P22894 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL13651521 0.84 CCR1 (0.32) CCR1CCR8MAPTCCR5LMNA
SCHEMBL24378649 0.84 KDM4E (0.30) CCR1CCR8MAPTCCR5LMNA
SCHEMBL24378667 0.82 CCR1 (0.31) CCR1CCR8MAPTCCR5LMNA
SCHEMBL24378743 0.82
SCHEMBL18809115 0.79 KDM4E (0.31) CCR1CCR8MAPTCCR5LMNA
SCHEMBL18902571 0.77
SCHEMBL13145251 0.77 CCR1 (0.52) CCR1CCR8MAPTCCR5LMNA
SCHEMBL17231471 0.76 CCR1 (0.50) CCR1CCR8MAPTCCR5LMNA
SCHEMBL31282562 0.76 CCR1 (0.50) CCR1CCR8MAPTCCR5LMNA
SCHEMBL18886531 0.76 CCR1 (0.50) CCR1CCR8MAPTCCR5LMNA

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
EP-3174124-B1 ORGANIC LIGHT EMITTING DISPLAY DEVICE LG DISPLAY CO LTD (KR) 2022-04-27 EP disclosed