SCHEMBL29705476

SCHEMBL29705476

Oc1ccc(-c2ccccn2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
LMNA P02545 3/20 0.61
P4HTM Q9NXG6 3/20 0.61
CCR1 P32246 3/20 0.61
CCR5 P51681 3/20 0.61
CCR8 P51685 3/20 0.61
CYP1A2 P05177 1/20 0.61
POLB P06746 1/20 0.61
METAP1 P53582 1/20 0.61
BLM P54132 1/20 0.61
HIF1A Q16665 1/20 0.61
DOHH Q9BU89 1/20 0.61
TP53 P04637 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
ALOX15 P16050 2/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL2645103 1.00 KDM4E (0.61) KDM4ELMNAP4HTMCCR1CCR5
SCHEMBL30516908 1.00 KDM4E (0.61) KDM4ELMNAP4HTMCCR1CCR5
SCHEMBL1070654 0.83 CCR1 (0.46) KDM4ELMNAP4HTMCCR1CCR5
SCHEMBL30958843 0.83 CCR1 (0.46) KDM4ELMNAP4HTMCCR1CCR5
SCHEMBL24302699 0.80 ALDH1A1 (0.52) KDM4ELMNAP4HTMCCR1CCR5
Dipyridyl SCHEMBL27648895 0.79 KDM4E (0.70) KDM4ELMNAP4HTMCCR1CCR5
Dipyridyl SCHEMBL28330098 0.79 KDM4E (0.70) KDM4ELMNAP4HTMCCR1CCR5
SCHEMBL163378 0.79 KDM4E (0.78) KDM4ELMNAP4HTMCCR1CCR5
Dipyridyl SCHEMBL27651116 0.78 KDM4E (0.88) KDM4ELMNAP4HTMCCR1CCR5
Dipyridyl SCHEMBL29907716 0.78 KDM4E (1.00) KDM4ELMNAP4HTMCCR1CCR5

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-2022159745-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. (US) 2022-07-28 WO disclosed