SCHEMBL30739423

SCHEMBL30739423

O=C1c2ccccc2C(=O)c2c(-c3ccco3)cc(=O)[nH]c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
ADORA2A P29274 1/20 0.46
MAOB P27338 1/20 0.44
BRD4 O60885 1/20 0.42
POLB P06746 4/20 0.41
RAB9A P51151 2/20 0.41
APAF1 O14727 1/20 0.41
PAX8 Q06710 1/20 0.41
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 2/20 0.39
GLA P06280 2/20 0.39
RECQL P46063 2/20 0.39
BLM P54132 2/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
NAT1 P18440 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
Marcanin A SCHEMBL29923975 0.72 RAB9A (0.47) ADORA2APOLBRAB9AAPAF1PAX8
SCHEMBL30739431 0.70 ADORA2A (0.46) ADORA1ADORA2AMAOBPOLBRAB9A
SCHEMBL30201452 0.66 TNKS2 (0.46) ADORA2APOLBRAB9AAPAF1PAX8
SCHEMBL8920440 0.65 RAB9A (0.56) MAOBPOLBRAB9AAPAF1PAX8
SCHEMBL23611339 0.65 ALOX15 (0.43) ADORA1ADORA2AMAOBBRD4POLB
SCHEMBL11398832 0.65 ALDH1A1 (0.44) ADORA1ADORA2AMAOBPOLBRAB9A
SCHEMBL3702192 0.63 KDM4E (0.43) ADORA1ADORA2AMAOBPOLBRAB9A
SCHEMBL1377629 0.63 ADORA2A (1.00) ADORA1ADORA2AMAOB
SCHEMBL4859240 0.63 POLB (0.69) ADORA2APOLBRAB9AAPAF1PAX8
Benzocarbazoledione SCHEMBL22541347 0.63 MAOA (0.54) POLBRAB9AAPAF1PAX8KMT2A

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-117466815-A Synthesis method of azaanthrone compound 西北工业大学 2024-01-30 CN disclosed