SCHEMBL30524232

SCHEMBL30524232

O=Cc1cccc(-c2c3ccccc3cc3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
BRD4 O60885 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CES1 P23141 1/20 0.41
CDK8 P49336 1/20 0.40
CYP2A6 P11509 1/20 0.40
AXL P30530 1/20 0.40
KIF11 P52732 2/20 0.39
UNG P13051 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37

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
SCHEMBL12571878 1.00 ALOX5 (0.47) ALOX5BRD4NPC1RAB9ATRIM24
SCHEMBL9914787 0.89 BRD4 (0.51) BRD4NPC1RAB9ATRIM24TRIM33
SCHEMBL9914780 0.85 RAB9A (0.44) ALOX5BRD4NPC1RAB9ATRIM24
SCHEMBL9914789 0.83 NPC1 (0.43) BRD4NPC1RAB9ATRIM24TRIM33
SCHEMBL12571883 0.83 ALOX5 (0.49) ALOX5NPC1RAB9AALDH1A1CES1
SCHEMBL1746708 0.82 BRD4 (0.48) BRD4NPC1RAB9ATRIM24TRIM33
SCHEMBL3158332 0.82 ALOX5 (0.47) ALOX5BRD4ALDH1A1CES1KDM4E
SCHEMBL30800593 0.81 ALOX5 (0.50) ALOX5BRD4NPC1RAB9AALDH1A1
SCHEMBL4821274 0.81 ALOX5 (0.50) ALOX5BRD4NPC1RAB9AALDH1A1
SCHEMBL9914781 0.81 TRIM24 (0.48) ALOX5BRD4NPC1RAB9ATRIM24

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-116617185-A Glucose-responsive polyamino acid multifunctional nano vesicle and preparation and application thereof 四川大学 2023-08-22 CN disclosed