SCHEMBL8894024

SCHEMBL8894024

Oc1nccnc1-c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.54
LMNA P02545 3/20 0.54
CCR1 P32246 3/20 0.54
CCR5 P51681 3/20 0.54
CCR8 P51685 3/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
METAP1 P53582 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
DOHH Q9BU89 1/20 0.54
P4HTM Q9NXG6 1/20 0.54
NPC1 O15118 7/20 0.46
RAB9A P51151 5/20 0.46
TP53 P04637 4/20 0.46
ALOX15 P16050 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL176039 0.84 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2573127 0.78 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30570543 0.78 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
Lithium SCHEMBL29809836 0.77 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
Lithium Ion SCHEMBL30155293 0.77 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27724243 0.77 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL21647242 0.77 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31134104 0.77 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29350626 0.76 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3981999 0.75 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8

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-5626791-A FERROELECTRIC LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed