SCHEMBL22912402

SCHEMBL22912402

N=C(/N=C(\N)c1ccc2c3ccccc3n(-c3ccccc3)c2c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
F2 P00734 3/20 0.41
F10 P00742 2/20 0.41
PRSS1 P07477 1/20 0.41
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PLG P00747 1/20 0.34
MAT2A P31153 1/20 0.32
KMT2A Q03164 4/20 0.32
PLA2G10 O15496 1/20 0.32
IL1R1 P14778 1/20 0.32
MEN1 O00255 3/20 0.32

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
SCHEMBL21583599 0.91 KDM4E (0.46) KDM4EL3MBTL1ATMF2F10
SCHEMBL17233967 0.85 KDM4E (0.46) KDM4EL3MBTL1ATMF2F10
SCHEMBL19596547 0.82 F2 (0.38) KDM4EL3MBTL1ATMF2F10
SCHEMBL26055394 0.81 KDM4E (0.43) KDM4EL3MBTL1ATMF2F10
SCHEMBL24030708 0.81 KDM4E (0.43) KDM4EL3MBTL1ATMF2F10
SCHEMBL22912384 0.79 F2 (0.41) F2F10PRSS1NPC1RAB9A
SCHEMBL26009828 0.77 PLA2G10 (0.39) KDM4EL3MBTL1ATMF2F10
SCHEMBL26287579 0.77 KDM4E (0.46) KDM4EL3MBTL1ATMF2F10
SCHEMBL13011635 0.76 HTR2B (0.51) KDM4EL3MBTL1ATMF2F10
SCHEMBL15338047 0.74 KDM4E (0.35) KDM4EL3MBTL1ATMF2F10

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-20210020852-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2021-01-21 US disclosed