SCHEMBL21929413

SCHEMBL21929413

c1ccc(-c2cc(-c3ccc(CCCCCCCc4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cc3)cc(-c3ccccn3)n2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.49
CCR5 P51681 3/20 0.49
CCR8 P51685 3/20 0.49
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
ALPL P05186 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CES1 P23141 6/20 0.45
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
METAP1 P53582 1/20 0.44

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
SCHEMBL733075 0.86 CCR1 (0.47) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL29660049 0.85 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL13311187 0.85 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL2007559 0.85 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL18489879 0.83 CCR1 (0.62) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL9228056 0.83 CCR1 (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL15061960 0.83 CCR1 (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL13286613 0.83 CCR1 (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL4812728 0.83 CCR1 (0.50) CCR1CCR5CCR8KDM4ELMNA
Bromide SCHEMBL9227039 0.82 CHKA (0.39) KDM4ESMN1; SMN2MAPK1HTTL3MBTL1

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
US-20200136053-A1 ORGANIC LIGHT-EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-04-30 US disclosed