SCHEMBL29340592

SCHEMBL29340592

Cc1ccnc2c1ccc1c(C)cc(-c3ccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.49
CCR8 P51685 3/20 0.49
CCR5 P51681 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
PSMD14 O00487 1/20 0.41
COPS5 Q92905 1/20 0.41
TOP1 P11387 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TNKS2 Q9H2K2 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
THRB P10828 1/20 0.37
PPARA Q07869 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
SCHEMBL29340597 1.00 CCR1 (0.49) CCR1CCR8CCR5L3MBTL1MEN1
SCHEMBL29340593 0.97 CCR1 (0.49) CCR1CCR8CCR5L3MBTL1MEN1
SCHEMBL29340594 0.96 CCR1 (0.50) CCR1CCR8CCR5L3MBTL1MEN1
SCHEMBL29340587 0.96 CCR1 (0.53) CCR1CCR8CCR5L3MBTL1MEN1
SCHEMBL29340588 0.96 CCR1 (0.53) CCR1CCR8CCR5L3MBTL1MEN1
SCHEMBL29340589 0.96 CCR1 (0.53) CCR1CCR8CCR5L3MBTL1MEN1
SCHEMBL29340596 0.95 CCR1 (0.49) CCR1CCR8CCR5L3MBTL1MEN1
SCHEMBL29340595 0.92 CCR1 (0.51) CCR1CCR8CCR5L3MBTL1MEN1
SCHEMBL11962212 0.89 CCR1 (0.62) CCR1CCR8CCR5L3MBTL1MEN1
SCHEMBL12112630 0.84 MEN1 (0.55) L3MBTL1MEN1KMT2AALDH1A1MAPT

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-2023058644-A9 COMPOUND, ORGANIC EL ELEMENT, DISPLAY DEVICE AND LIGHTING DEVICE 東レ株式会社 2024-07-18 WO disclosed