SCHEMBL20613784

SCHEMBL20613784

CC1(c2ncnc(-c3ccccc3)n2)C=CC=CC=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 3/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPK1 P28482 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MAPT P10636 3/20 0.32
RECQL P46063 1/20 0.32
SORD Q00796 1/20 0.32
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 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
SCHEMBL20613786 0.86 L3MBTL1 (0.30) L3MBTL1KMT2A
SCHEMBL24808227 0.74
SCHEMBL24806807 0.73 EGFR (0.30)
SCHEMBL56387 0.72 L3MBTL1 (0.54) L3MBTL1KMT2ALMNAMEN1NR1H2
Ammonia Solution, Strong SCHEMBL28360184 0.70 L3MBTL1 (0.52) L3MBTL1KMT2ALMNAMEN1NR1H2
SCHEMBL23626042 0.70 L3MBTL1 (0.33) L3MBTL1KMT2A
SCHEMBL23008279 0.68 NPC1 (0.52) L3MBTL1KMT2ALMNAMEN1NPC1
SCHEMBL13719392 0.68 NPC1 (0.52) L3MBTL1KMT2ALMNAMEN1NPC1
SCHEMBL16922581 0.68 NPC1 (0.52) L3MBTL1KMT2ALMNAMEN1NPC1
SCHEMBL23008430 0.68 NPC1 (0.52) L3MBTL1KMT2ALMNAMEN1NPC1

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
EP-2862862-B1 ORGANIC LIGHT EMITTING DEVICE COMPRISING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND LG CHEMICAL LTD (KR) 2019-01-02 EP disclosed