SCHEMBL28027423

SCHEMBL28027423

Cc1cc2occc2c(C)c1-c1cccc(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
CYP2A6 P11509 1/20 0.42
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 2/20 0.34
KCNA3 P22001 3/20 0.33
HPGD P15428 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP1A1 P04798 2/20 0.32
CYP1B1 Q16678 2/20 0.32
ERAP1 Q9NZ08 1/20 0.32
CYP1A2 P05177 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL28027386 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL1974835 0.73 BRD4 (0.55) BRD4CYP2A6TRIM24TRIM33CA12
SCHEMBL1745297 0.72 BRD4 (0.58) BRD4CYP2A6TRIM24TRIM33CA12
SCHEMBL205804 0.70 BRD4 (0.53) BRD4TRIM24TRIM33CA12CA1
SCHEMBL3936527 0.70 BRD4 (0.49) BRD4TRIM24TRIM33CA12CA1
SCHEMBL204537 0.69 BRD4 (0.46) BRD4TRIM24TRIM33CA12CA1
SCHEMBL204011 0.69 BRD4 (0.46) BRD4TRIM24TRIM33CA12CA1
SCHEMBL205798 0.67 BRD4 (0.53) BRD4TRIM24TRIM33CA12CA1
SCHEMBL9914787 0.67 BRD4 (0.51) BRD4CYP2A6TRIM24TRIM33CA12
SCHEMBL2022257 0.67 BRD4 (0.49) BRD4TRIM24TRIM33CA12CA1

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-104870429-B Benzofuran derivative, preparation method therefor, and medical application thereof 四川海思科制药有限公司 2017-05-03 CN disclosed
CN-104870429-A Benzofuran derivative, preparation method therefor, and medical application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2015-08-26 CN disclosed