SCHEMBL30741237

SCHEMBL30741237

COc1ccc(Nc2cccc(OC)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
NPC1 O15118 3/20 0.71
RAB9A P51151 3/20 0.71
MAPT P10636 2/20 0.68
MAPK1 P28482 2/20 0.68
KDM4E B2RXH2 1/20 0.68
GAA P10253 1/20 0.68
THRB P10828 1/20 0.68
RECQL P46063 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
MTNR1B P49286 6/20 0.68
MTNR1A P48039 4/20 0.68
POLB P06746 1/20 0.62
TP53 P04637 2/20 0.62
TSHR P16473 1/20 0.62
RAPGEF4 Q8WZA2 1/20 0.59
GALR2 O43603 2/20 0.57

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
SCHEMBL30741242 1.00 KMT2A (0.71) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL2112594 1.00 KMT2A (0.71) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL1921496 0.96 MTNR1B (0.72) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL9479608 0.92 MTNR1B (0.68) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL9479511 0.92 MTNR1B (0.68) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL13302357 0.92 RAB9A (0.74) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL1085867 0.92 MEN1 (0.71) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL1921418 0.90 MTNR1B (0.66) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL917608 0.90 MTNR1B (0.65) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL30080139 0.90 MTNR1B (0.65) KMT2AMEN1NPC1RAB9AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117239231-A Electrolyte additive for lithium battery, electrolyte and preparation method of electrolyte 哈尔滨工业大学 2023-12-15 CN claimed
CN-117239231-A Electrolyte additive for lithium battery, electrolyte and preparation method of electrolyte 哈尔滨工业大学 2023-12-15 CN disclosed