SCHEMBL24798552

SCHEMBL24798552

Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.50
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GRM2 Q14416 1/20 0.45
PSMB5 P28074 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42

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
SCHEMBL20937832 0.86 L3MBTL1 (0.50) L3MBTL1NPC1RAB9AHPGDMAPK1
SCHEMBL18571778 0.82 L3MBTL1 (0.53) L3MBTL1NPC1RAB9AHPGDMAPK1
SCHEMBL20777641 0.82 MEN1 (0.46) L3MBTL1NPC1RAB9AHPGDMAPK1
SCHEMBL25809509 0.82 MEN1 (0.46) L3MBTL1NPC1RAB9AHPGDMAPK1
SCHEMBL23626636 0.82 ADORA1 (0.48) L3MBTL1NPC1RAB9AHPGDMAPK1
SCHEMBL29991932 0.82 L3MBTL1 (0.53) L3MBTL1NPC1RAB9AHPGDMAPK1
SCHEMBL20927778 0.82 ADORA1 (0.48) L3MBTL1NPC1RAB9AHPGDMAPK1
SCHEMBL27254534 0.82 MEN1 (0.46) L3MBTL1NPC1RAB9AHPGDMAPK1
SCHEMBL23626905 0.81 L3MBTL1 (0.48) L3MBTL1NPC1RAB9AHPGDMAPK1
SCHEMBL778770 0.81 LMNA (0.50) HPGDTSHRNPSR1GRM2PSMB5

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-3697865-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2022-12-28 EP disclosed