SCHEMBL29224940

SCHEMBL29224940

Oc1ncc(-c2cc3ccccc3o2)c(O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.49
MAOA P21397 3/20 0.49
PDE4D Q08499 1/20 0.47
ALOX5 P09917 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ADRA2A P08913 2/20 0.44
METAP2 P50579 1/20 0.44
GRM4 Q14833 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 1/20 0.42
TOP2A P11388 1/20 0.42
CYP19A1 P11511 1/20 0.40
HPGD P15428 2/20 0.40
TYR P14679 1/20 0.40

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
SCHEMBL30463566 1.00 MAOB (0.49) MAOBMAOAPDE4DALOX5MEN1
SCHEMBL5030486 0.73 MAOB (0.62) MAOBMAOAPDE4DALOX5MEN1
SCHEMBL29225183 0.72 MAOB (0.49) MAOBMAOAPDE4DALOX5MEN1
SCHEMBL30463541 0.72 MAOB (0.49) MAOBMAOAPDE4DALOX5MEN1
SCHEMBL5061307 0.72 MAOB (0.49) MAOBMAOAPDE4DMEN1KMT2A
SCHEMBL12854020 0.72 MAOB (0.71) MAOBMAOAALOX5MEN1KMT2A
SCHEMBL61411 0.72 MAOB (0.71) MAOBMAOAALOX5MEN1KMT2A
SCHEMBL103158 0.71 MAOB (0.63) MAOBMAOAALOX5TDP1ADRA2A
SCHEMBL30036439 0.71 MAOB (0.63) MAOBMAOAALOX5TDP1ADRA2A
SCHEMBL1110879 0.70 LMNA (0.64) MAOBMAOAPDE4DALOX5MEN1

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
CN-116514799-A Wee1 inhibitor, composition and application thereof 星希尔生物科技(上海)有限公司 2023-08-01 CN disclosed